BDBM50011229 2-Benzyl-N-[1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(1H-pyrazol-3-yl)-ethyl]-4-morpholin-4-yl-4-oxo-butyramide::CHEMBL342864

SMILES: CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1

InChI Key: InChIKey=FHLUCSGMOPZEJO-BQBSFFJSSA-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 = 50011229   

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))	BDBM50011229 (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](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C35H50N6O7/c1-2-40-23-30(48-35(40)46)32(43)28(20-25-11-7-4-8-12-25)37-34(45)29(22-27-13-14-36-39-27)38-33(44)26(19-24-9-5-3-6-10-24)21-31(42)41-15-17-47-18-16-41/h3,5-6,9-10,13-14,25-26,28-30,32,43H,2,4,7-8,11-12,15-23H2,1H3,(H,36,39)(H,37,45)(H,38,44)/t26-,28+,29+,30+,32-/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	1.10	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))	BDBM50011229 (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](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C35H50N6O7/c1-2-40-23-30(48-35(40)46)32(43)28(20-25-11-7-4-8-12-25)37-34(45)29(22-27-13-14-36-39-27)38-33(44)26(19-24-9-5-3-6-10-24)21-31(42)41-15-17-47-18-16-41/h3,5-6,9-10,13-14,25-26,28-30,32,43H,2,4,7-8,11-12,15-23H2,1H3,(H,36,39)(H,37,45)(H,38,44)/t26-,28+,29+,30+,32-/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	21	n/a	n/a	n/a	n/a	7.4	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))	BDBM50011229 (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](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C35H50N6O7/c1-2-40-23-30(48-35(40)46)32(43)28(20-25-11-7-4-8-12-25)37-34(45)29(22-27-13-14-36-39-27)38-33(44)26(19-24-9-5-3-6-10-24)21-31(42)41-15-17-47-18-16-41/h3,5-6,9-10,13-14,25-26,28-30,32,43H,2,4,7-8,11-12,15-23H2,1H3,(H,36,39)(H,37,45)(H,38,44)/t26-,28+,29+,30+,32-/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	21	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