BDBM50282600 (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-pentanoic acid (2-imidazol-1-yl-ethyl)-amide::CHEMBL23071

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)NCCn1ccnc1

InChI Key: InChIKey=NSOBJSHXZLHPGH-TZYWOTFASA-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 = 50282600   

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))	BDBM50282600 ((3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo...) 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)NCCn1ccnc1 Show InChI InChI=1S/C41H56N6O7S/c1-28(2)21-34(40(51)45-33(22-29-11-5-3-6-12-29)36(48)25-38(49)43-18-20-47-19-17-42-27-47)46-41(52)35(23-30-13-7-4-8-14-30)44-39(50)24-31-26-55(53,54)37-16-10-9-15-32(31)37/h4,7-10,13-17,19,27-29,31,33-36,48H,3,5-6,11-12,18,20-26H2,1-2H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t31?,33-,34-,35-,36-/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	41	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