BDBM50014075 (3R,4S)-3,4-Dihydroxy-pyrrolidine-1-carboxylic acid [(S)-1-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-2-((S)-3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-(4-methoxy-phenyl)-ethyl]-amide::CHEMBL61428

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)N1C[C@H](O)[C@H](O)C1

InChI Key: InChIKey=QDIKJNAKIBUDPQ-XJHZBCOISA-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 = 50014075   

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))	BDBM50014075 ((3R,4S)-3,4-Dihydroxy-pyrrolidine-1-carboxylic aci...) 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)N1C[C@H](O)[C@H](O)C1 Show InChI InChI=1S/C35H51N7O9/c1-3-41-19-30(51-35(41)49)31(45)25(13-21-7-5-4-6-8-21)38-33(47)27(15-23-16-36-20-37-23)39-32(46)26(14-22-9-11-24(50-2)12-10-22)40-34(48)42-17-28(43)29(44)18-42/h9-12,16,20-21,25-31,43-45H,3-8,13-15,17-19H2,1-2H3,(H,36,37)(H,38,47)(H,39,46)(H,40,48)/t25-,26-,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	8.70	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
Renin (Homo sapiens (Human))	BDBM50014075 ((3R,4S)-3,4-Dihydroxy-pyrrolidine-1-carboxylic aci...) 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)N1C[C@H](O)[C@H](O)C1 Show InChI InChI=1S/C35H51N7O9/c1-3-41-19-30(51-35(41)49)31(45)25(13-21-7-5-4-6-8-21)38-33(47)27(15-23-16-36-20-37-23)39-32(46)26(14-22-9-11-24(50-2)12-10-22)40-34(48)42-17-28(43)29(44)18-42/h9-12,16,20-21,25-31,43-45H,3-8,13-15,17-19H2,1-2H3,(H,36,37)(H,38,47)(H,39,46)(H,40,48)/t25-,26-,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	6.90	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