BDBM50237456 CHEMBL4074799

SMILES: COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCc1ccnc(N)c1

InChI Key: InChIKey=GZVJRIGRQNIRIS-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50237456   

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))	BDBM50237456 (CHEMBL4074799) Show SMILES COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCc1ccnc(N)c1 Show InChI InChI=1S/C22H28N6O2S/c1-16-14-24-15-28(16)10-3-8-26-22(31)27-18-4-5-19(20(13-18)29-2)30-11-7-17-6-9-25-21(23)12-17/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H2,23,25)(H2,26,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	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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