BDBM50014129 2-[2-[6-Amino-2-(2-benzyloxycarbonylamino-3-phenyl-propionylamino)-hexanoylamino]-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoic acid methyl ester::CHEMBL313217

SMILES: COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=KZBKLNYTAXMALT-ZYADHFCISA-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 = 50014129   

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))	BDBM50014129 (2-[2-[6-Amino-2-(2-benzyloxycarbonylamino-3-phenyl...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C41H52N6O7/c1-27(2)22-36(40(51)53-3)46-39(50)35(24-30-25-43-32-19-11-10-18-31(30)32)45-37(48)33(20-12-13-21-42)44-38(49)34(23-28-14-6-4-7-15-28)47-41(52)54-26-29-16-8-5-9-17-29/h4-11,14-19,25,27,33-36,43H,12-13,20-24,26,42H2,1-3H3,(H,44,49)(H,45,48)(H,46,50)(H,47,52)/t33-,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	PubMed	n/a	n/a	3.10E+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))	BDBM50014129 (2-[2-[6-Amino-2-(2-benzyloxycarbonylamino-3-phenyl...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C41H52N6O7/c1-27(2)22-36(40(51)53-3)46-39(50)35(24-30-25-43-32-19-11-10-18-31(30)32)45-37(48)33(20-12-13-21-42)44-38(49)34(23-28-14-6-4-7-15-28)47-41(52)54-26-29-16-8-5-9-17-29/h4-11,14-19,25,27,33-36,43H,12-13,20-24,26,42H2,1-3H3,(H,44,49)(H,45,48)(H,46,50)(H,47,52)/t33-,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	PubMed	n/a	n/a	3.10E+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