BDBM50014127 2-[2-[6-Amino-2-(3-benzyl-6-benzyloxycarbonylamino-2,5,9-trioxo-[1,4]diazonan-1-yl)-hexanoylamino]-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoic acid methyl ester::CHEMBL316055

SMILES: COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O

InChI Key: InChIKey=BLLOOYTWZGTZCO-IPQRENHXSA-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 = 50014127   

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))	BDBM50014127 (2-[2-[6-Amino-2-(3-benzyl-6-benzyloxycarbonylamino...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O Show InChI InChI=1S/C46H57N7O9/c1-29(2)24-38(45(59)61-3)51-42(56)36(26-32-27-48-34-19-11-10-18-33(32)34)49-43(57)39(20-12-13-23-47)53-40(54)22-21-35(52-46(60)62-28-31-16-8-5-9-17-31)41(55)50-37(44(53)58)25-30-14-6-4-7-15-30/h4-11,14-19,21-22,27,29,36,38-39,46,48,52,54,58,60H,12-13,20,23-26,28,47H2,1-3H3,(H,49,57)(H,50,55)(H,51,56)/b35-21+,40-22+,44-37+/t36-,38-,39-,46?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	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))	BDBM50014127 (2-[2-[6-Amino-2-(3-benzyl-6-benzyloxycarbonylamino...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O Show InChI InChI=1S/C46H57N7O9/c1-29(2)24-38(45(59)61-3)51-42(56)36(26-32-27-48-34-19-11-10-18-33(32)34)49-43(57)39(20-12-13-23-47)53-40(54)22-21-35(52-46(60)62-28-31-16-8-5-9-17-31)41(55)50-37(44(53)58)25-30-14-6-4-7-15-30/h4-11,14-19,21-22,27,29,36,38-39,46,48,52,54,58,60H,12-13,20,23-26,28,47H2,1-3H3,(H,49,57)(H,50,55)(H,51,56)/b35-21+,40-22+,44-37+/t36-,38-,39-,46?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	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