[(1R)-1-[[(2S)-2-[[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutyl]boronic acid

InChIKey	`XKPGTGFSIKPAND-VMPREFPWSA-N`
Compound Name	[(1R)-1-[[(2S)-2-[[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutyl]boronic acid
Canonical SMILES	`CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B(O)O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	20
Pfam Stratification	Cross-Family
Avg pChEMBL	7.24
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
A5LHX3	PSMB11	Homo sapiens	Human	PF00227	7.2	IC50	ChEMBL
O14818	PSMA7	Homo sapiens	Human	PF00227 PF10584	7.2	IC50	ChEMBL
P20618	PSMB1	Homo sapiens	Human	PF00227	7.2	IC50	ChEMBL
P25786	PSMA1	Homo sapiens	Human	PF00227 PF10584	7.2	IC50	ChEMBL
P25787	PSMA2	Homo sapiens	Human	PF00227 PF10584	7.2	IC50	ChEMBL
P25788	PSMA3	Homo sapiens	Human	PF00227 PF10584	7.2	IC50	ChEMBL
P25789	PSMA4	Homo sapiens	Human	PF00227 PF10584	7.2	IC50	ChEMBL
P28062	PSMB8	Homo sapiens	Human	PF00227	7.2	IC50	ChEMBL
P28065	PSMB9	Homo sapiens	Human	PF00227	7.2	IC50	ChEMBL
P28066	PSMA5	Homo sapiens	Human	PF00227 PF10584	7.2	IC50	ChEMBL
P28070	PSMB4	Homo sapiens	Human	PF00227	7.2	IC50	ChEMBL
P28072	PSMB6	Homo sapiens	Human	PF00227	7.2	IC50	ChEMBL
P28074	PSMB5	Homo sapiens	Human	PF00227	7.2	IC50	ChEMBL
P40306	PSMB10	Homo sapiens	Human	PF12465 PF00227	7.2	IC50	ChEMBL
P49720	PSMB3	Homo sapiens	Human	PF00227	7.2	IC50	ChEMBL
P49721	PSMB2	Homo sapiens	Human	PF00227	7.2	IC50	ChEMBL
P60900	PSMA6	Homo sapiens	Human	PF00227 PF10584	7.2	IC50	ChEMBL
Q8TAA3	PSMA8	Homo sapiens	Human	PF00227 PF10584	7.2	IC50	ChEMBL
Q99436	PSMB7	Homo sapiens	Human	PF12465 PF00227	7.2	IC50	ChEMBL
P09874	PARP1	Homo sapiens	Human	PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063	7.0	IC50	ChEMBL