BDBM50014084 (R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-2-((S)-3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-N*4*-[2-(2-methoxy-ethoxymethoxy)-ethyl]-N*4*-methyl-succinamide::CHEMBL58263

SMILES: CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc1ccccc1

InChI Key: InChIKey=JZRFAIHFMIECQR-AJISXOSTSA-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 = 50014084   

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))	BDBM50014084 ((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc1ccccc1 Show InChI InChI=1S/C38H58N6O9/c1-4-44-24-33(53-38(44)49)35(46)31(20-28-13-9-6-10-14-28)41-37(48)32(22-30-23-39-25-40-30)42-36(47)29(19-27-11-7-5-8-12-27)21-34(45)43(2)15-16-51-26-52-18-17-50-3/h5,7-8,11-12,23,25,28-29,31-33,35,46H,4,6,9-10,13-22,24,26H2,1-3H3,(H,39,40)(H,41,48)(H,42,47)/t29-,31+,32+,33+,35-/m1/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	0.330	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))	BDBM50014084 ((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc1ccccc1 Show InChI InChI=1S/C38H58N6O9/c1-4-44-24-33(53-38(44)49)35(46)31(20-28-13-9-6-10-14-28)41-37(48)32(22-30-23-39-25-40-30)42-36(47)29(19-27-11-7-5-8-12-27)21-34(45)43(2)15-16-51-26-52-18-17-50-3/h5,7-8,11-12,23,25,28-29,31-33,35,46H,4,6,9-10,13-22,24,26H2,1-3H3,(H,39,40)(H,41,48)(H,42,47)/t29-,31+,32+,33+,35-/m1/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	0.370	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))	BDBM50014084 ((R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmeth...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc1ccccc1 Show InChI InChI=1S/C38H58N6O9/c1-4-44-24-33(53-38(44)49)35(46)31(20-28-13-9-6-10-14-28)41-37(48)32(22-30-23-39-25-40-30)42-36(47)29(19-27-11-7-5-8-12-27)21-34(45)43(2)15-16-51-26-52-18-17-50-3/h5,7-8,11-12,23,25,28-29,31-33,35,46H,4,6,9-10,13-22,24,26H2,1-3H3,(H,39,40)(H,41,48)(H,42,47)/t29-,31+,32+,33+,35-/m1/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	0.570	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