BDBM50011230 2-Benzyl-N-[1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(1-methyl-1H-imidazol-4-yl)-ethyl]-4-morpholin-4-yl-4-oxo-butyramide::CHEMBL262306

SMILES: CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1

InChI Key: InChIKey=ZVNAGIOSBBTQDF-QCZWDIFZSA-N

Data: 3 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 3 hits for monomerid = 50011230   

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))	BDBM50011230 (2-Benzyl-N-[1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C36H52N6O7/c1-3-41-23-31(49-36(41)47)33(44)29(19-26-12-8-5-9-13-26)38-35(46)30(21-28-22-40(2)24-37-28)39-34(45)27(18-25-10-6-4-7-11-25)20-32(43)42-14-16-48-17-15-42/h4,6-7,10-11,22,24,26-27,29-31,33,44H,3,5,8-9,12-21,23H2,1-2H3,(H,38,46)(H,39,45)/t27-,29+,30+,31+,33-/m1/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	58	n/a	n/a	n/a	n/a	6.5	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against purified human renal renin at pH 6.5				J Med Chem 34: 469-71 (1991) BindingDB Entry DOI: 10.7270/Q2WD3ZH8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50011230 (2-Benzyl-N-[1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C36H52N6O7/c1-3-41-23-31(49-36(41)47)33(44)29(19-26-12-8-5-9-13-26)38-35(46)30(21-28-22-40(2)24-37-28)39-34(45)27(18-25-10-6-4-7-11-25)20-32(43)42-14-16-48-17-15-42/h4,6-7,10-11,22,24,26-27,29-31,33,44H,3,5,8-9,12-21,23H2,1-2H3,(H,38,46)(H,39,45)/t27-,29+,30+,31+,33-/m1/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	7.40	n/a	n/a	n/a	n/a	6.5	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against human plasma renin at pH 7.4				J Med Chem 34: 469-71 (1991) BindingDB Entry DOI: 10.7270/Q2WD3ZH8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50011230 (2-Benzyl-N-[1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C36H52N6O7/c1-3-41-23-31(49-36(41)47)33(44)29(19-26-12-8-5-9-13-26)38-35(46)30(21-28-22-40(2)24-37-28)39-34(45)27(18-25-10-6-4-7-11-25)20-32(43)42-14-16-48-17-15-42/h4,6-7,10-11,22,24,26-27,29-31,33,44H,3,5,8-9,12-21,23H2,1-2H3,(H,38,46)(H,39,45)/t27-,29+,30+,31+,33-/m1/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	58	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human plasma renin at pH 7.4				J Med Chem 36: 449-59 (1993) BindingDB Entry DOI: 10.7270/Q20K27M6
					More data for this Ligand-Target Pair