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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50533649'   
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))
BDBM50533649
PNG
(CHEMBL4467132)
Show SMILES Cc1c(cccc1-n1cnc2cc(F)ccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25FN4O3/c1-16-19(5-4-6-26(16)36-15-34-24-14-18(32)8-10-22(24)30(36)38)20-11-12-23(29(33)37)28-27(20)21-9-7-17(31(2,3)39)13-25(21)35-28/h4-15,35,39H,1-3H3,(H2,33,37)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant BTK expressed in baculovirus using fluoresceinated peptide substrate after 60 mins by fluoresc...


J Med Chem 59: 7915-35 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00722
BindingDB Entry DOI: 10.7270/Q24Q7ZGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50533649
PNG
(CHEMBL4467132)
Show SMILES Cc1c(cccc1-n1cnc2cc(F)ccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25FN4O3/c1-16-19(5-4-6-26(16)36-15-34-24-14-18(32)8-10-22(24)30(36)38)20-11-12-23(29(33)37)28-27(20)21-9-7-17(31(2,3)39)13-25(21)35-28/h4-15,35,39H,1-3H3,(H2,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BTK in human RamosB cells assessed as suppression of BCR/anti-IgM stimulated calcium flux pre-incubated for 1 hr followed by BCR/anti-I...


J Med Chem 59: 7915-35 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00722
BindingDB Entry DOI: 10.7270/Q24Q7ZGM
More data for this
Ligand-Target Pair