BDBM50282596 4-[(3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thiophen-3-yl)-acetylamino]-3-phenyl-propionylamino}-4-methyl-pentanoylamino)-3-hydroxy-pentanoylamino]-butyric acid::CHEMBL291240

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCC(O)=O

InChI Key: InChIKey=AMIZGVJLOOQAEV-ZTLDWJDHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50282596   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50282596 (4-[(3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-di...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCC(O)=O Show InChI InChI=1S/C40H56N4O9S/c1-26(2)20-32(39(50)43-31(21-27-12-5-3-6-13-27)34(45)24-36(46)41-19-11-18-38(48)49)44-40(51)33(22-28-14-7-4-8-15-28)42-37(47)23-29-25-54(52,53)35-17-10-9-16-30(29)35/h4,7-10,14-17,26-27,29,31-34,45H,3,5-6,11-13,18-25H2,1-2H3,(H,41,46)(H,42,47)(H,43,50)(H,44,51)(H,48,49)/t29?,31-,32-,33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma renin at pH 65.0				Bioorg Med Chem Lett 4: 1291-1296 (1994) Article DOI: 10.1016/S0960-894X(01)80347-4 BindingDB Entry DOI: 10.7270/Q2C8297D
					More data for this Ligand-Target Pair