BDBM50014131 2-[2-[3-(Acetylamino-methylsulfanyl)-2-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoic acid methyl ester::CHEMBL313089

SMILES: COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=FCOYXQPFLLIZFE-YDPTYEFTSA-N

Data: 2 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 2 hits for monomerid = 50014131   

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))	BDBM50014131 (2-[2-[3-(Acetylamino-methylsulfanyl)-2-(2-tert-but...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C38H52N6O8S/c1-23(2)17-31(36(49)51-7)42-34(47)30(19-26-20-39-28-16-12-11-15-27(26)28)41-35(48)32(21-53-22-40-24(3)45)43-33(46)29(18-25-13-9-8-10-14-25)44-37(50)52-38(4,5)6/h8-16,20,23,29-32,39H,17-19,21-22H2,1-7H3,(H,40,45)(H,41,48)(H,42,47)(H,43,46)(H,44,50)/t29-,30-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human renin				J Med Chem 33: 2552-60 (1990) BindingDB Entry DOI: 10.7270/Q2NS0VHH
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50014131 (2-[2-[3-(Acetylamino-methylsulfanyl)-2-(2-tert-but...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C38H52N6O8S/c1-23(2)17-31(36(49)51-7)42-34(47)30(19-26-20-39-28-16-12-11-15-27(26)28)41-35(48)32(21-53-22-40-24(3)45)43-33(46)29(18-25-13-9-8-10-14-25)44-37(50)52-38(4,5)6/h8-16,20,23,29-32,39H,17-19,21-22H2,1-7H3,(H,40,45)(H,41,48)(H,42,47)(H,43,46)(H,44,50)/t29-,30-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2560-8 (1990) BindingDB Entry DOI: 10.7270/Q20V8BR8
					More data for this Ligand-Target Pair