4-methoxy-N-[3-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide

Molecule Details

InChIKey	`MSGIVAIQQQASIZ-WGCUALRVSA-N`
Compound Name	4-methoxy-N-[3-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
Canonical SMILES	`COc1ccc(C(=O)NC(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)c2ccccc2)cc1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	38
Pfam Stratification	Cross-Family
Avg pChEMBL	6.47
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target Activities (38)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
A5LHX3	PSMB11	Homo sapiens	Human	PF00227	6.5	IC50	ChEMBL
O00231	PSMD11	Homo sapiens	Human	PF01399 PF18503 PF18055	6.5	IC50	ChEMBL
O00232	PSMD12	Homo sapiens	Human	PF01399 PF22241 PF18098	6.5	IC50	ChEMBL
O00487	PSMD14	Homo sapiens	Human	PF01398 PF23594	6.5	IC50	ChEMBL
O14818	PSMA7	Homo sapiens	Human	PF00227 PF10584	6.5	IC50	ChEMBL
O43242	PSMD3	Homo sapiens	Human	PF01399 PF08375 PF25573	6.5	IC50	ChEMBL
P17980	PSMC3	Homo sapiens	Human	PF00004 PF17862 PF16450	6.5	IC50	ChEMBL
P20618	PSMB1	Homo sapiens	Human	PF00227	6.5	IC50	ChEMBL
P25786	PSMA1	Homo sapiens	Human	PF00227 PF10584	6.5	IC50	ChEMBL
P25787	PSMA2	Homo sapiens	Human	PF00227 PF10584	6.5	IC50	ChEMBL
P25788	PSMA3	Homo sapiens	Human	PF00227 PF10584	6.5	IC50	ChEMBL
P25789	PSMA4	Homo sapiens	Human	PF00227 PF10584	6.5	IC50	ChEMBL
P28062	PSMB8	Homo sapiens	Human	PF00227	6.5	IC50	ChEMBL
P28065	PSMB9	Homo sapiens	Human	PF00227	6.5	IC50	ChEMBL
P28066	PSMA5	Homo sapiens	Human	PF00227 PF10584	6.5	IC50	ChEMBL
P28070	PSMB4	Homo sapiens	Human	PF00227	6.5	IC50	ChEMBL
P28072	PSMB6	Homo sapiens	Human	PF00227	6.5	IC50	ChEMBL
P28074	PSMB5	Homo sapiens	Human	PF00227	6.5	IC50	ChEMBL
P35998	PSMC2	Homo sapiens	Human	PF00004 PF17862 PF21236	6.5	IC50	ChEMBL
P40306	PSMB10	Homo sapiens	Human	PF12465 PF00227	6.5	IC50	ChEMBL
P43686	PSMC4	Homo sapiens	Human	PF00004 PF17862 PF16450	6.5	IC50	ChEMBL
P48556	PSMD8	Homo sapiens	Human	PF10075	6.5	IC50	ChEMBL
P49720	PSMB3	Homo sapiens	Human	PF00227	6.5	IC50	ChEMBL
P49721	PSMB2	Homo sapiens	Human	PF00227	6.5	IC50	ChEMBL
P51665	PSMD7	Homo sapiens	Human	PF01398 PF13012	6.5	IC50	ChEMBL
P55036	PSMD4	Homo sapiens	Human	PF02809 PF13519	6.5	IC50	ChEMBL
P60896	SEM1	Homo sapiens	Human	PF05160	6.5	IC50	ChEMBL
P60900	PSMA6	Homo sapiens	Human	PF00227 PF10584	6.5	IC50	ChEMBL
P62191	PSMC1	Homo sapiens	Human	PF00004 PF17862 PF16450	6.5	IC50	ChEMBL
P62195	PSMC5	Homo sapiens	Human	PF00004 PF17862 PF16450	6.5	IC50	ChEMBL
P62333	PSMC6	Homo sapiens	Human	PF00004 PF17862 PF16450	6.5	IC50	ChEMBL
Q13200	PSMD2	Homo sapiens	Human	PF01851 PF18051 PF17781	6.5	IC50	ChEMBL
Q15008	PSMD6	Homo sapiens	Human	PF01399 PF10602 PF21154	6.5	IC50	ChEMBL
Q16186	ADRM1	Homo sapiens	Human	PF04683 PF16550	6.5	IC50	ChEMBL
Q8TAA3	PSMA8	Homo sapiens	Human	PF00227 PF10584	6.5	IC50	ChEMBL
Q99436	PSMB7	Homo sapiens	Human	PF12465 PF00227	6.5	IC50	ChEMBL;BindingDB
Q99460	PSMD1	Homo sapiens	Human	PF13646 PF01851 PF18004 PF21505	6.5	IC50	ChEMBL
Q9UNM6	PSMD13	Homo sapiens	Human	PF01399 PF22037	6.5	IC50	ChEMBL