BDBM50538877 CHEMBL4636735

SMILES: COc1cc(ccn1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1

InChI Key: InChIKey=OTZBVSYFFJQWRC-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 = 50538877   

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))	BDBM50538877 (CHEMBL4636735) Show SMILES COc1cc(ccn1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C18H20N4O2S/c1-11-9-22(10-12(2)24-11)18-17-15(21-25-18)6-14(8-20-17)13-4-5-19-16(7-13)23-3/h4-8,11-12H,9-10H2,1-3H3/t11-,12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	545	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