BDBM50003171 (diastereomer-1) [1-(6-Cyclohexylmethyl-10-diethylaminomethyl-7-hydroxy-4,8,14-trioxo-1,9-dioxa-5-aza-cyclotetradec-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester::(diastereomer-2) [1-(6-Cyclohexylmethyl-10-diethylaminomethyl-7-hydroxy-4,8,14-trioxo-1,9-dioxa-5-aza-cyclotetradec-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester::CHEMBL431667

SMILES: CCN(CC)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1

InChI Key: InChIKey=MBXIQNNQZWUDGS-PXSNYUHUSA-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 = 50003171   

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))	BDBM50003171 ((diastereomer-1) [1-(6-Cyclohexylmethyl-10-diethyl...) Show SMILES CCN(CC)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 Show InChI InChI=1S/C37H58N4O9/c1-6-41(7-2)23-27-19-14-20-31(42)48-24-30(34(45)38-28(32(43)35(46)49-27)21-25-15-10-8-11-16-25)39-33(44)29(22-26-17-12-9-13-18-26)40-36(47)50-37(3,4)5/h9,12-13,17-18,25,27-30,32,43H,6-8,10-11,14-16,19-24H2,1-5H3,(H,38,45)(H,39,44)(H,40,47)/t27?,28-,29?,30-,32+/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	140	n/a	n/a	n/a	n/a	7.4	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human renin inhibition (at pH 7.4)				J Med Chem 35: 3755-73 (1992) BindingDB Entry DOI: 10.7270/Q26W9BPZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50003171 ((diastereomer-1) [1-(6-Cyclohexylmethyl-10-diethyl...) Show SMILES CCN(CC)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 Show InChI InChI=1S/C37H58N4O9/c1-6-41(7-2)23-27-19-14-20-31(42)48-24-30(34(45)38-28(32(43)35(46)49-27)21-25-15-10-8-11-16-25)39-33(44)29(22-26-17-12-9-13-18-26)40-36(47)50-37(3,4)5/h9,12-13,17-18,25,27-30,32,43H,6-8,10-11,14-16,19-24H2,1-5H3,(H,38,45)(H,39,44)(H,40,47)/t27?,28-,29?,30-,32+/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	7	n/a	n/a	n/a	n/a	7.4	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human renin inhibition (at pH 7.4)				J Med Chem 35: 3755-73 (1992) BindingDB Entry DOI: 10.7270/Q26W9BPZ
					More data for this Ligand-Target Pair