BDBM50538895 CHEMBL4648554

SMILES: C[C@H]1CN(C[C@@H](C)O1)c1snc2ccc(nc12)-c1ccccc1

InChI Key: InChIKey=SLHYIFRDCDQOCE-BETUJISGSA-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 = 50538895   

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))	BDBM50538895 (CHEMBL4648554) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1snc2ccc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C18H19N3OS/c1-12-10-21(11-13(2)22-12)18-17-16(20-23-18)9-8-15(19-17)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3/t12-,13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	364	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