BDBM50014080 (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-methoxymethoxy-ethyl)-3-methyl-ureido]-3-(4-methoxy-phenyl)-propionamide::CHEMBL59236

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)CCOCOC

InChI Key: InChIKey=YLUIODVEQWMRRU-QEUNAIBPSA-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 = 50014080   

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))	BDBM50014080 ((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)CCOCOC Show InChI InChI=1S/C36H55N7O9/c1-5-43-21-31(52-36(43)48)32(44)28(17-24-9-7-6-8-10-24)39-34(46)30(19-26-20-37-22-38-26)40-33(45)29(18-25-11-13-27(50-4)14-12-25)41-35(47)42(2)15-16-51-23-49-3/h11-14,20,22,24,28-32,44H,5-10,15-19,21,23H2,1-4H3,(H,37,38)(H,39,46)(H,40,45)(H,41,47)/t28-,29-,30-,31-,32+/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	27	n/a	n/a	n/a	n/a	7.4	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))	BDBM50014080 ((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)CCOCOC Show InChI InChI=1S/C36H55N7O9/c1-5-43-21-31(52-36(43)48)32(44)28(17-24-9-7-6-8-10-24)39-34(46)30(19-26-20-37-22-38-26)40-33(45)29(18-25-11-13-27(50-4)14-12-25)41-35(47)42(2)15-16-51-23-49-3/h11-14,20,22,24,28-32,44H,5-10,15-19,21,23H2,1-4H3,(H,37,38)(H,39,46)(H,40,45)(H,41,47)/t28-,29-,30-,31-,32+/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	4.60	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