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

InChI Key: InChIKey=OHQNDWYCWWSAOL-TXEJJXNPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50538879   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50538879
PNG
(CHEMBL4645917)
Show SMILES COc1cc(ccc1C(O)=O)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C20H21N3O4S/c1-11-9-23(10-12(2)27-11)19-18-16(22-28-19)6-14(8-21-18)13-4-5-15(20(24)25)17(7-13)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,24,25)/t11-,12+
PDB
MMDB

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PC cid
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Article
PubMed
n/an/a 42n/an/an/an/an/an/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)


Article DOI: 10.1016/j.bmc.2019.115188
BindingDB Entry DOI: 10.7270/Q2TM7FNT
More data for this
Ligand-Target Pair