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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 = 'BDBM50533644'   
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))
BDBM50533644
PNG
(CHEMBL4567605)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(N4Cc5ccccc5C4=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C34H31N5O3/c1-20-23(8-5-9-29(20)39-19-22-6-3-4-7-24(22)34(39)42)25-12-13-27(32(35)40)31-30(25)26-11-10-21(18-28(26)36-31)33(41)38-16-14-37(2)15-17-38/h3-13,18,36H,14-17,19H2,1-2H3,(H2,35,40)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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))
BDBM50533644
PNG
(CHEMBL4567605)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(N4Cc5ccccc5C4=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C34H31N5O3/c1-20-23(8-5-9-29(20)39-19-22-6-3-4-7-24(22)34(39)42)25-12-13-27(32(35)40)31-30(25)26-11-10-21(18-28(26)36-31)33(41)38-16-14-37(2)15-17-38/h3-13,18,36H,14-17,19H2,1-2H3,(H2,35,40)
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 238n/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