BDBM50538897 CHEMBL4639991

SMILES: C[C@H]1CN(C[C@@H](C)O1)c1snc2ccc(nc12)-c1ccc(F)cc1

InChI Key: InChIKey=PBMVUXOTICHJNP-TXEJJXNPSA-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 = 50538897   

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))	BDBM50538897 (CHEMBL4639991) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1snc2ccc(nc12)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H18FN3OS/c1-11-9-22(10-12(2)23-11)18-17-16(21-24-18)8-7-15(20-17)13-3-5-14(19)6-4-13/h3-8,11-12H,9-10H2,1-2H3/t11-,12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	110	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