Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM394241' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM394241
(US9975882, Example 32)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;3.52,6.17,;4.61,5.08,;4.21,3.6,;2.72,3.2,;1.63,4.29,;.14,3.89,;6.09,5.48,;7.18,4.39,;6.09,3.94,;6.49,6.97,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)| Show InChI InChI=1S/C26H25F4N7O2/c1-2-3-20(38)35-7-6-25(14-35)9-18(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-8-17(26(28,29)30)4-5-19(15)27/h4-5,8,11,13,18H,6-7,9-10,12,14,31H2,1H3,(H2,32,39)/t18-,25- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kalmar
| Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k... |
J Med Chem 52: 2708-15 (2009)
BindingDB Entry DOI: 10.7270/Q2BP0531 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM394241
(US9975882, Example 32)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;3.52,6.17,;4.61,5.08,;4.21,3.6,;2.72,3.2,;1.63,4.29,;.14,3.89,;6.09,5.48,;7.18,4.39,;6.09,3.94,;6.49,6.97,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)| Show InChI InChI=1S/C26H25F4N7O2/c1-2-3-20(38)35-7-6-25(14-35)9-18(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-8-17(26(28,29)30)4-5-19(15)27/h4-5,8,11,13,18H,6-7,9-10,12,14,31H2,1H3,(H2,32,39)/t18-,25- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kalmar
| Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k... |
J Med Chem 52: 2708-15 (2009)
BindingDB Entry DOI: 10.7270/Q2BP0531 |
More data for this
Ligand-Target Pair | |
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