BDBM50538880 CHEMBL4638607

SMILES: C[C@H]1CN(C[C@@H](C)O1)c1snc2cc(\C=C\c3ccccc3)cnc12

InChI Key: InChIKey=JOIVIGINZUIKMX-WNJITKBNSA-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 = 50538880   

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))	BDBM50538880 (CHEMBL4638607) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1snc2cc(\C=C\c3ccccc3)cnc12 |r| Show InChI InChI=1S/C20H21N3OS/c1-14-12-23(13-15(2)24-14)20-19-18(22-25-20)10-17(11-21-19)9-8-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3/b9-8+/t14-,15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of tracer 222 binding to recombinant human GST-tagged GAK (1 to 329 residues) expressed in insect cells incubated for 1 hr by Lanthascreen...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair