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PubMed code 28056160

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
BDBM225238
PNG
(BTK inhibitor, 3)
Show SMILES CNC(=O)[C@H]1Cc2c(CN1C(=O)c1occc1CNc1ccc3nccnc3c1)[nH]c1ccccc21
Show InChI InChI=1S/C27H24N6O3/c1-28-26(34)24-13-19-18-4-2-3-5-20(18)32-23(19)15-33(24)27(35)25-16(8-11-36-25)14-31-17-6-7-21-22(12-17)30-10-9-29-21/h2-12,24,31-32H,13-15H2,1H3,(H,28,34)/t24-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.550n/an/an/an/an/a30



X-Chem Pharmaceuticals



Assay Description
The BTK time-resolved FRET-based competitive binding assay and cell-based BTK assays have been previously described.[Xu et al., J.Pharmacol. Exp. The...


Chembiochem 18: 864-871 (2017)


Article DOI: 10.1002/cbic.201600573
BindingDB Entry DOI: 10.7270/Q22J69Q5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM225237
PNG
(BTK inhibitor, 2)
Show SMILES CNC(=O)Cc1cccc(NC(=O)c2n[nH]cc2CNc2ccccc2[C@H](O)c2ccccc2)c1
Show InChI InChI=1S/C27H27N5O3/c1-28-24(33)15-18-8-7-11-21(14-18)31-27(35)25-20(17-30-32-25)16-29-23-13-6-5-12-22(23)26(34)19-9-3-2-4-10-19/h2-14,17,26,29,34H,15-16H2,1H3,(H,28,33)(H,30,32)(H,31,35)/t26-/m1/s1
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PC cid
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UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/a30



X-Chem Pharmaceuticals



Assay Description
The BTK time-resolved FRET-based competitive binding assay and cell-based BTK assays have been previously described.[Xu et al., J.Pharmacol. Exp. The...


Chembiochem 18: 864-871 (2017)


Article DOI: 10.1002/cbic.201600573
BindingDB Entry DOI: 10.7270/Q22J69Q5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM225236
PNG
(BTK inhibitor, 1)
Show SMILES CNC(=O)C(Cc1c[nH]c2ncccc12)NC(=O)c1n[nH]c2cccc(CNc3ccc(O)cc3Cl)c12
Show InChI InChI=1S/C26H24ClN7O3/c1-28-25(36)21(10-15-13-31-24-17(15)5-3-9-29-24)32-26(37)23-22-14(4-2-6-20(22)33-34-23)12-30-19-8-7-16(35)11-18(19)27/h2-9,11,13,21,30,35H,10,12H2,1H3,(H,28,36)(H,29,31)(H,32,37)(H,33,34)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/a30



X-Chem Pharmaceuticals



Assay Description
The BTK time-resolved FRET-based competitive binding assay and cell-based BTK assays have been previously described.[Xu et al., J.Pharmacol. Exp. The...


Chembiochem 18: 864-871 (2017)


Article DOI: 10.1002/cbic.201600573
BindingDB Entry DOI: 10.7270/Q22J69Q5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%