BDBM50538887 CHEMBL4643096

SMILES: COc1cc(ccc1C(=O)N1CCCC1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1

InChI Key: InChIKey=VIDRJDOHWONBKJ-IYBDPMFKSA-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 = 50538887   

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))	BDBM50538887 (CHEMBL4643096) Show SMILES COc1cc(ccc1C(=O)N1CCCC1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C24H28N4O3S/c1-15-13-28(14-16(2)31-15)24-22-20(26-32-24)10-18(12-25-22)17-6-7-19(21(11-17)30-3)23(29)27-8-4-5-9-27/h6-7,10-12,15-16H,4-5,8-9,13-14H2,1-3H3/t15-,16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	83	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