BDBM50135477 CHEMBL3751921

SMILES: CCOC(=O)N1CCN(CC1)c1snc2cc(cnc12)-c1ccc(OC)c(OC)c1

InChI Key: InChIKey=HNVNIXVKFLTBMJ-UHFFFAOYSA-N

Data: 1 Kd

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 = 50135477   

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
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50135477 (CHEMBL3751921) Show SMILES CCOC(=O)N1CCN(CC1)c1snc2cc(cnc12)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C21H24N4O4S/c1-4-29-21(26)25-9-7-24(8-10-25)20-19-16(23-30-20)11-15(13-22-19)14-5-6-17(27-2)18(12-14)28-3/h5-6,11-13H,4,7-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control				Medchemcomm 6: 1666-1672 (2016) BindingDB Entry DOI: 10.7270/Q20Z754S
					More data for this Ligand-Target Pair