BDBM50014082 (S)-N-[(S)-1-[(1S,2R)-1-Cyclohexylmethyl-2-((S)-3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-2-[3-(2,3-dihydroxy-propyl)-3-methyl-ureido]-3-(4-methoxy-phenyl)-propionamide::CHEMBL58351

SMILES: CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)N(C)CC(O)CO

InChI Key: InChIKey=IVWGTWKTJPINNF-RRRYISNWSA-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 = 50014082   

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))	BDBM50014082 ((S)-N-[(S)-1-[(1S,2R)-1-Cyclohexylmethyl-2-((S)-3-...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)N(C)CC(O)CO Show InChI InChI=1S/C35H53N7O9/c1-4-42-19-30(51-35(42)49)31(45)27(14-22-8-6-5-7-9-22)38-33(47)29(16-24-17-36-21-37-24)39-32(46)28(15-23-10-12-26(50-3)13-11-23)40-34(48)41(2)18-25(44)20-43/h10-13,17,21-22,25,27-31,43-45H,4-9,14-16,18-20H2,1-3H3,(H,36,37)(H,38,47)(H,39,46)(H,40,48)/t25?,27-,28-,29-,30-,31+/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	7.90	n/a	n/a	n/a	n/a	6.5	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against purified human renal renin at pH 6.5				J Med Chem 33: 1962-9 (1990) BindingDB Entry DOI: 10.7270/Q2KW5GN2
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50014082 ((S)-N-[(S)-1-[(1S,2R)-1-Cyclohexylmethyl-2-((S)-3-...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)N(C)CC(O)CO Show InChI InChI=1S/C35H53N7O9/c1-4-42-19-30(51-35(42)49)31(45)27(14-22-8-6-5-7-9-22)38-33(47)29(16-24-17-36-21-37-24)39-32(46)28(15-23-10-12-26(50-3)13-11-23)40-34(48)41(2)18-25(44)20-43/h10-13,17,21-22,25,27-31,43-45H,4-9,14-16,18-20H2,1-3H3,(H,36,37)(H,38,47)(H,39,46)(H,40,48)/t25?,27-,28-,29-,30-,31+/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	46	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin at pH 7.4				J Med Chem 33: 1962-9 (1990) BindingDB Entry DOI: 10.7270/Q2KW5GN2
					More data for this Ligand-Target Pair