BDBM50237479 CHEMBL4062842

SMILES: COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCc1ccc(N)cc1

InChI Key: InChIKey=JODGBKRCPNNYIC-UHFFFAOYSA-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 = 50237479   

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
Glutaminyl Cyclase (Homo sapiens (Human))	BDBM50237479 (CHEMBL4062842) Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCc1ccc(N)cc1 Show InChI InChI=1S/C24H31N5O2S/c1-18-16-26-17-29(18)13-4-12-27-24(32)28-21-10-11-22(23(15-21)30-2)31-14-3-5-19-6-8-20(25)9-7-19/h6-11,15-17H,3-5,12-14,25H2,1-2H3,(H2,27,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...				J Med Chem 60: 2573-2590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00098 BindingDB Entry DOI: 10.7270/Q23X88X9
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