BDBM50011700 Acetic acid 4-{2-[2-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-3-(1H-imidazol-4-yl)-propionylamino]-3-cyclohexyl-1-hydroxy-propyl}-1-methyl-5-oxo-pyrrolidin-2-ylmethyl ester::CHEMBL170289

SMILES: CN1[C@H](COC(C)=O)C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O

InChI Key: InChIKey=HGHJCVYAXOEPSB-JNRWAQIZSA-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 = 50011700   

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))	BDBM50011700 (Acetic acid 4-{2-[2-(2-tert-butoxycarbonylamino-3-...) Show SMILES CN1[C@H](COC(C)=O)C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C37H54N6O8/c1-23(44)50-21-27-19-28(35(48)43(27)5)32(45)29(16-24-12-8-6-9-13-24)40-34(47)31(18-26-20-38-22-39-26)41-33(46)30(17-25-14-10-7-11-15-25)42-36(49)51-37(2,3)4/h7,10-11,14-15,20,22,24,27-32,45H,6,8-9,12-13,16-19,21H2,1-5H3,(H,38,39)(H,40,47)(H,41,46)(H,42,49)/t27-,28-,29-,30-,31-,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	155	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro renin inhibition was measured at pH 7.4 by using purified human kidney renin assay				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50011700 (Acetic acid 4-{2-[2-(2-tert-butoxycarbonylamino-3-...) Show SMILES CN1[C@H](COC(C)=O)C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C37H54N6O8/c1-23(44)50-21-27-19-28(35(48)43(27)5)32(45)29(16-24-12-8-6-9-13-24)40-34(47)31(18-26-20-38-22-39-26)41-33(46)30(17-25-14-10-7-11-15-25)42-36(49)51-37(2,3)4/h7,10-11,14-15,20,22,24,27-32,45H,6,8-9,12-13,16-19,21H2,1-5H3,(H,38,39)(H,40,47)(H,41,46)(H,42,49)/t27-,28-,29-,30-,31-,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	157	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
					More data for this Ligand-Target Pair