BDBM50281239 (2R,3R,4S)-5-Cyclohexyl-2,3-dihydroxy-4-[3-(3H-imidazol-4-yl)-propylamino]-pentane-1-sulfonic acid butylamide::CHEMBL90402

SMILES: CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NCCCc1cnc[nH]1

InChI Key: InChIKey=DMSZEIAGVMRLLY-PCCBWWKXSA-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 = 50281239   

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))	BDBM50281239 ((2R,3R,4S)-5-Cyclohexyl-2,3-dihydroxy-4-[3-(3H-imi...) Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NCCCc1cnc[nH]1 Show InChI InChI=1S/C21H40N4O4S/c1-2-3-12-25-30(28,29)15-20(26)21(27)19(13-17-8-5-4-6-9-17)23-11-7-10-18-14-22-16-24-18/h14,16-17,19-21,23,25-27H,2-13,15H2,1H3,(H,22,24)/t19-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.10E+5	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against human renal renin at pH 7				Bioorg Med Chem Lett 3: 2739-2744 (1993) Article DOI: 10.1016/S0960-894X(01)80755-1 BindingDB Entry DOI: 10.7270/Q2Q52PJ2
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