(S)-[(S)-5-(3-Butyl-phenyl)-1-(4-methoxy-benzyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-(4,6-dimethyl-pyrimidin-2-yloxy)-acetic acid

InChIKey	`MAJFWFWHJWCHLH-LDNVYYCDSA-N`
Compound Name	(S)-[(S)-5-(3-Butyl-phenyl)-1-(4-methoxy-benzyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-(4,6-dimethyl-pyrimidin-2-yloxy)-acetic acid
Canonical SMILES	`CCCCc1cccc([C@]2([C@H](Oc3nc(C)cc(C)n3)C(=O)O)NCC(=O)N(Cc3ccc(OC)cc3)c3ccccc32)c1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Homologous
Avg pChEMBL	7.77
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P25101	EDNRA	Homo sapiens	Human	PF00001	8.1	IC50	ChEMBL;BindingDB
P24530	EDNRB	Homo sapiens	Human	PF00001	7.4	IC50	ChEMBL;BindingDB