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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50388190'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50388190
PNG
(CHEMBL2057923)
Show SMILES Nc1[nH]nc2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H18N4O3/c26-24-22-21(28-29-24)14-20(15-6-8-17(9-7-15)25(30)31)27-23(22)16-10-12-19(13-11-16)32-18-4-2-1-3-5-18/h1-14H,(H,30,31)(H3,26,28,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human BTK by enzymatic assay


J Med Chem 55: 4539-50 (2012)


Article DOI: 10.1021/jm300035p
BindingDB Entry DOI: 10.7270/Q27H1KMF
More data for this
Ligand-Target Pair