BDBM50014137 6-Amino-2-(3-benzyl-8-isobutyl-2,5,9-trioxo-[1,4,7]triazonan-1-yl)-hexanoic acid [2-(1H-indol-3-yl)-1-(3-methyl-butylcarbamoyl)-ethyl]-amide::CHEMBL2370009

SMILES: CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](CC(C)C)NCC(=O)N[C@@H](Cc2ccccc2)C1=O

InChI Key: InChIKey=NOBOVSPVCBRGHF-CUPIEXAXSA-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 = 50014137   

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))	BDBM50014137 (6-Amino-2-(3-benzyl-8-isobutyl-2,5,9-trioxo-[1,4,7...) Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](CC(C)C)NCC(=O)N[C@@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C39H55N7O5/c1-25(2)17-19-41-36(48)31(22-28-23-42-30-15-9-8-14-29(28)30)45-37(49)34(16-10-11-18-40)46-38(50)32(20-26(3)4)43-24-35(47)44-33(39(46)51)21-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-34,42-43H,10-11,16-22,24,40H2,1-4H3,(H,41,48)(H,44,47)(H,45,49)/t31-,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	PubMed	n/a	n/a	430	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
Renin (Rattus norvegicus)	BDBM50014137 (6-Amino-2-(3-benzyl-8-isobutyl-2,5,9-trioxo-[1,4,7...) Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](CC(C)C)NCC(=O)N[C@@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C39H55N7O5/c1-25(2)17-19-41-36(48)31(22-28-23-42-30-15-9-8-14-29(28)30)45-37(49)34(16-10-11-18-40)46-38(50)32(20-26(3)4)43-24-35(47)44-33(39(46)51)21-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-34,42-43H,10-11,16-22,24,40H2,1-4H3,(H,41,48)(H,44,47)(H,45,49)/t31-,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Porcine renin				J Med Chem 33: 2560-8 (1990) BindingDB Entry DOI: 10.7270/Q20V8BR8
					More data for this Ligand-Target Pair