BDBM50046792 2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-thiazol-4-yl-ethyl]-N*4*-methyl-N*4*-(2-morpholin-4-yl-ethyl)-succinamide::CHEMBL142942

SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN1CCOCC1)Cc1ccccc1

InChI Key: InChIKey=NAROOOYGONPMEY-URWDCWSASA-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 = 50046792   

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))	BDBM50046792 (2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C38H59N5O6S/c1-27(2)20-34(44)36(46)32(22-29-12-8-5-9-13-29)40-38(48)33(24-31-25-50-26-39-31)41-37(47)30(21-28-10-6-4-7-11-28)23-35(45)42(3)14-15-43-16-18-49-19-17-43/h4,6-7,10-11,25-27,29-30,32-34,36,44,46H,5,8-9,12-24H2,1-3H3,(H,40,48)(H,41,47)/t30-,32+,33+,34+,36-/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	4.10	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