BDBM50046811 2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-thiazol-4-yl-ethyl]-3-(1-methyl-piperidine-4-sulfonyl)-propionamide::CHEMBL342711

SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C1CCN(C)CC1

InChI Key: InChIKey=CWSJRBYLECBYNE-LSOHEVAPSA-N

Data: 1 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 1 hit for monomerid = 50046811   

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))	BDBM50046811 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C1CCN(C)CC1 Show InChI InChI=1S/C36H56N4O6S2/c1-25(2)18-33(41)34(42)31(20-27-12-8-5-9-13-27)38-36(44)32(21-29-22-47-24-37-29)39-35(43)28(19-26-10-6-4-7-11-26)23-48(45,46)30-14-16-40(3)17-15-30/h4,6-7,10-11,22,24-25,27-28,30-34,41-42H,5,8-9,12-21,23H2,1-3H3,(H,38,44)(H,39,43)/t28-,31+,32+,33+,34-/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	4	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human plasma renin at pH 7.4				J Med Chem 36: 460-7 (1993) BindingDB Entry DOI: 10.7270/Q2VT1R5C
					More data for this Ligand-Target Pair