Found 398 hits with Last Name = 'tschantz' and Initial = 'ma' 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)) | BDBM394245
(US9975882, Example 36)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.87,-8.75,;-4.1,-7.41,;-3.33,-6.08,;-2.56,-4.75,;-1.02,-4.75,;-3.33,-3.41,;-4.87,-3.41,;-5.35,-1.95,;-4.1,-1.04,;-3.01,.05,;-4.1,1.13,;-5.19,.05,;-4.1,2.67,;-2.86,3.58,;-3.33,5.04,;-2.56,6.38,;-3.04,7.84,;-1.79,8.75,;-.55,7.84,;.94,8.24,;2.03,7.15,;1.63,5.66,;2.72,4.58,;4.21,4.97,;4.61,6.46,;3.52,7.55,;6.09,6.86,;6.49,8.35,;7.18,5.77,;-1.02,6.38,;-4.87,5.04,;-5.64,6.38,;-7.18,6.38,;-4.87,7.71,;-5.35,3.58,;-6.68,2.81,;-2.86,-1.95,)| Show InChI InChI=1S/C26H27F2N7O2/c1-2-4-20(36)33-8-7-26(15-33)10-19(11-26)35-24(29)21(25(30)37)22(32-35)18-12-31-34(14-18)13-16-5-3-6-17(9-16)23(27)28/h3,5-6,9,12,14,19,23H,7-8,10-11,13,15,29H2,1H3,(H2,30,37)/t19-,26- | 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 | 0.200 | 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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50126732
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5| Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tyrosine kinase |
J Med Chem 46: 1337-49 (2003)
Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM394250
(US9975882, Example 41)Show SMILES NC(=O)c1c(N)n(nc1-c1cnn(Cc2ccccc2)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC1CC1 |r,wU:21.23,wD:23.26,(-5.89,7.15,;-4.35,7.15,;-3.58,8.48,;-3.58,5.81,;-4.06,4.35,;-5.39,3.58,;-2.81,3.44,;-1.57,4.35,;-2.04,5.81,;-1.27,7.15,;-1.75,8.61,;-.5,9.52,;.74,8.61,;2.23,9.01,;3.32,7.92,;2.92,6.43,;4.01,5.35,;5.5,5.74,;5.89,7.23,;4.81,8.32,;.27,7.15,;-2.81,1.9,;-1.73,.82,;-2.81,-.27,;-3.9,.82,;-4.06,-1.18,;-3.58,-2.64,;-2.04,-2.64,;-1.57,-1.18,;-1.27,-3.98,;.27,-3.98,;-2.04,-5.31,;-2.81,-6.64,;-3.58,-7.98,;-4.92,-8.75,;-3.58,-9.52,)| Show InChI InChI=1S/C27H29N7O2/c28-25-23(26(29)36)24(20-14-30-33(16-20)15-19-4-2-1-3-5-19)31-34(25)21-12-27(13-21)10-11-32(17-27)22(35)9-8-18-6-7-18/h1-5,14,16,18,21H,6-7,10-13,15,17,28H2,(H2,29,36)/t21-,27- | 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 | 0.300 | 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)) | BDBM394268
(US9975882, Example 59)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)| Show InChI InChI=1S/C25H25F2N7O2/c1-2-4-19(35)32-8-7-25(14-32)9-17(10-25)34-23(28)20(24(29)36)22(31-34)16-11-30-33(13-16)12-15-5-3-6-18(26)21(15)27/h3,5-6,11,13,17H,7-10,12,14,28H2,1H3,(H2,29,36)/t17-,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 | 0.300 | 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)) | BDBM394262
(US9975882, Example 53)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)| Show InChI InChI=1S/C25H25ClFN7O2/c1-2-4-19(35)32-8-7-25(14-32)9-17(10-25)34-23(28)20(24(29)36)22(31-34)16-11-30-33(13-16)12-15-5-3-6-18(27)21(15)26/h3,5-6,11,13,17H,7-10,12,14,28H2,1H3,(H2,29,36)/t17-,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 | 0.300 | 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)) | BDBM394260
(US9975882, Example 51)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C4CC4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(1.86,-6.08,;.32,-6.08,;-1.22,-6.08,;-2.76,-6.08,;-3.53,-7.41,;-3.53,-4.75,;-5.07,-4.75,;-5.55,-3.28,;-4.3,-2.38,;-3.21,-1.29,;-4.3,-.2,;-5.39,-1.29,;-4.3,1.34,;-3.06,2.25,;-3.53,3.71,;-2.76,5.04,;-3.24,6.51,;-1.99,7.41,;-.75,6.51,;.74,6.91,;1.83,5.82,;1.43,4.33,;2.52,3.24,;4.01,3.64,;4.41,5.13,;3.32,6.22,;5.89,5.53,;7.38,5.13,;6.98,6.62,;-1.22,5.04,;-5.07,3.71,;-5.84,5.04,;-7.38,5.04,;-5.07,6.38,;-5.55,2.25,;-6.88,1.48,;-3.06,-3.28,)| Show InChI InChI=1S/C28H31N7O2/c1-2-4-23(36)33-10-9-28(17-33)12-22(13-28)35-26(29)24(27(30)37)25(32-35)21-14-31-34(16-21)15-18-5-3-6-20(11-18)19-7-8-19/h3,5-6,11,14,16,19,22H,7-10,12-13,15,17,29H2,1H3,(H2,30,37)/t22-,28- | 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 | 0.300 | 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)) | BDBM394253
(US9975882, Example 44)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-8.75,;-2.81,-7.41,;-2.04,-6.08,;-1.27,-4.75,;.27,-4.75,;-2.04,-3.41,;-3.58,-3.41,;-4.06,-1.95,;-2.81,-1.04,;-1.73,.05,;-2.81,1.13,;-3.9,.05,;-2.81,2.67,;-1.57,3.58,;-2.04,5.04,;-1.27,6.38,;-1.75,7.84,;-.5,8.75,;.74,7.84,;2.23,8.24,;3.32,7.15,;2.92,5.66,;4.01,4.58,;5.5,4.97,;5.89,6.46,;4.81,7.55,;.27,6.38,;-3.58,5.04,;-4.35,6.38,;-5.89,6.38,;-3.58,7.71,;-4.06,3.58,;-5.39,2.81,;-1.57,-1.95,)| Show InChI InChI=1S/C25H27N7O2/c1-2-6-20(33)30-10-9-25(16-30)11-19(12-25)32-23(26)21(24(27)34)22(29-32)18-13-28-31(15-18)14-17-7-4-3-5-8-17/h3-5,7-8,13,15,19H,9-12,14,16,26H2,1H3,(H2,27,34)/t19-,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 | 0.300 | 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)) | BDBM394237
(US9975882, Example 28)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)| Show InChI InChI=1S/C25H26FN7O2/c1-2-4-20(34)31-8-7-25(15-31)10-19(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-5-3-6-18(26)9-16/h3,5-6,9,12,14,19H,7-8,10-11,13,15,27H2,1H3,(H2,28,35)/t19-,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 | 0.300 | 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)) | BDBM394231
(US9975882, Example 22)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)| Show InChI InChI=1S/C26H26F3N7O2/c1-2-4-20(37)34-8-7-25(15-34)10-19(11-25)36-23(30)21(24(31)38)22(33-36)17-12-32-35(14-17)13-16-5-3-6-18(9-16)26(27,28)29/h3,5-6,9,12,14,19H,7-8,10-11,13,15,30H2,1H3,(H2,31,38)/t19-,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 | 0.300 | 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)) | BDBM394211
(US9975882, Example 2)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(Cl)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)| Show InChI InChI=1S/C25H26ClN7O2/c1-2-4-20(34)31-8-7-25(15-31)10-19(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-5-3-6-18(26)9-16/h3,5-6,9,12,14,19H,7-8,10-11,13,15,27H2,1H3,(H2,28,35)/t19-,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 | 0.300 | 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)) | BDBM394215
(US9975882, Example 6)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;3.64,6.68,;2.15,6.28,;1.75,4.79,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)| Show InChI InChI=1S/C27H28F3N7O2/c1-3-5-21(38)35-9-8-26(15-35)10-19(11-26)37-24(31)22(25(32)39)23(34-37)18-12-33-36(14-18)13-17-6-4-7-20(16(17)2)27(28,29)30/h4,6-7,12,14,19H,8-11,13,15,31H2,1-2H3,(H2,32,39)/t19-,26- | 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 | 0.400 | 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)) | BDBM394214
(US9975882, Example 5)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(C)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;5.52,8.56,;3.64,6.68,;2.15,6.28,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)| Show InChI InChI=1S/C27H28F3N7O2/c1-3-4-21(38)35-8-7-26(15-35)10-19(11-26)37-24(31)22(25(32)39)23(34-37)18-12-33-36(14-18)13-17-6-5-16(2)20(9-17)27(28,29)30/h5-6,9,12,14,19H,7-8,10-11,13,15,31H2,1-2H3,(H2,32,39)/t19-,26- | 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 | 0.400 | 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)) | BDBM394212
(US9975882, Example 3)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;3.64,6.68,;2.15,6.28,;1.75,4.79,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)| Show InChI InChI=1S/C26H25ClF3N7O2/c1-2-4-19(38)35-8-7-25(14-35)9-17(10-25)37-23(31)20(24(32)39)22(34-37)16-11-33-36(13-16)12-15-5-3-6-18(21(15)27)26(28,29)30/h3,5-6,11,13,17H,7-10,12,14,31H2,1H3,(H2,32,39)/t17-,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 | 0.400 | 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)) | BDBM50126732
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5| Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Brutons tyrosine kinase |
J Med Chem 46: 1337-49 (2003)
Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM394267
(US9975882, Example 58)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(Cl)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;5.52,8.56,;3.64,6.68,;2.15,6.28,;4.73,5.59,;6.21,5.99,;5.82,4.5,;4.33,4.1,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)| Show InChI InChI=1S/C26H25ClF3N7O2/c1-2-3-20(38)35-7-6-25(14-35)9-17(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-4-5-19(27)18(8-15)26(28,29)30/h4-5,8,11,13,17H,6-7,9-10,12,14,31H2,1H3,(H2,32,39)/t17-,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 | 0.400 | 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)) | BDBM394242
(US9975882, Example 33)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.83,;.73,-5.23,;-.76,-5.63,;-2.24,-6.03,;-2.64,-7.51,;-3.33,-4.94,;-4.87,-4.94,;-5.35,-3.47,;-4.1,-2.57,;-3.01,-1.48,;-4.1,-.39,;-5.19,-1.48,;-4.1,1.15,;-2.86,2.06,;-3.33,3.52,;-2.56,4.85,;-3.04,6.32,;-1.79,7.22,;-.55,6.32,;.94,6.72,;2.03,5.63,;1.63,4.14,;2.72,3.05,;4.21,3.45,;4.61,4.94,;3.52,6.03,;3.92,7.51,;6.09,5.34,;7.18,4.25,;6.09,3.8,;6.49,6.82,;-1.02,4.85,;-4.87,3.52,;-5.64,4.85,;-7.18,4.85,;-4.87,6.19,;-5.35,2.06,;-6.68,1.29,;-2.86,-3.47,)| Show InChI InChI=1S/C26H25F4N7O2/c1-2-4-19(38)35-8-7-25(14-35)9-17(10-25)37-23(31)20(24(32)39)22(34-37)16-11-33-36(13-16)12-15-5-3-6-18(21(15)27)26(28,29)30/h3,5-6,11,13,17H,7-10,12,14,31H2,1H3,(H2,32,39)/t17-,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 | 0.400 | 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)) | BDBM394219
(US9975882, Example 10)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C#N)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(4.54,-9.55,;3,-9.55,;1.46,-9.55,;-.08,-9.55,;-.85,-10.88,;-.85,-8.21,;-2.39,-8.21,;-2.86,-6.75,;-1.62,-5.84,;-.53,-4.75,;-1.62,-3.66,;-2.7,-4.75,;-1.62,-2.12,;-.37,-1.22,;-.85,.25,;-.08,1.58,;1.46,1.58,;1.94,3.04,;.69,3.95,;.69,5.49,;2.03,6.26,;3.36,5.49,;4.7,6.26,;4.7,7.8,;3.36,8.57,;2.03,7.8,;.69,8.57,;-.64,9.34,;3.36,10.11,;4.7,10.88,;2.03,10.88,;4.7,9.34,;-.55,3.04,;-2.39,.25,;-3.16,1.58,;-4.7,1.58,;-2.39,2.91,;-2.86,-1.22,;-4.2,-1.99,;-.37,-6.75,)| Show InChI InChI=1S/C27H25F3N8O2/c1-2-4-21(39)36-8-7-26(15-36)9-18(10-26)38-24(32)22(25(33)40)23(35-38)17-12-34-37(14-17)13-16-5-3-6-20(19(16)11-31)27(28,29)30/h3,5-6,12,14,18H,7-10,13,15,32H2,1H3,(H2,33,40)/t18-,26- | 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)) | BDBM394223
(US9975882, Example 14)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(n4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)| Show InChI InChI=1S/C25H25F3N8O2/c1-2-4-19(37)34-8-7-24(14-34)9-17(10-24)36-22(29)20(23(30)38)21(33-36)15-11-31-35(12-15)13-16-5-3-6-18(32-16)25(26,27)28/h3,5-6,11-12,17H,7-10,13-14,29H2,1H3,(H2,30,38)/t17-,24- | 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)) | BDBM394269
(US9975882, Example 60)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)| Show InChI InChI=1S/C25H26FN7O2/c1-2-5-20(34)31-9-8-25(15-31)10-18(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-6-3-4-7-19(16)26/h3-4,6-7,12,14,18H,8-11,13,15,27H2,1H3,(H2,28,35)/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 Lck
(Homo sapiens (Human)) | BDBM50126732
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5| Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of p56 Lck tyrosine kinase |
J Med Chem 46: 1337-49 (2003)
Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM394221
(US9975882, Example 12)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.95,-6.97,;1.41,-6.97,;-.13,-6.97,;-1.67,-6.97,;-2.44,-8.3,;-2.44,-5.64,;-3.98,-5.64,;-4.46,-4.17,;-3.21,-3.27,;-2.12,-2.18,;-3.21,-1.09,;-4.3,-2.18,;-3.21,.45,;-1.97,1.36,;-2.44,2.82,;-1.67,4.16,;-2.15,5.62,;-.9,6.53,;.34,5.62,;1.83,6.02,;2.92,4.93,;2.52,3.44,;3.61,2.35,;5.1,2.75,;5.5,4.24,;4.41,5.33,;4.81,6.82,;3.72,7.9,;5.2,8.3,;6.29,7.21,;-.13,4.16,;-3.98,2.82,;-4.75,4.16,;-3.98,5.49,;-6.29,4.16,;-4.46,1.36,;-5.79,.59,;-1.97,-4.17,)| Show InChI InChI=1S/C26H26F3N7O2/c1-2-5-20(37)34-9-8-25(15-34)10-18(11-25)36-23(30)21(24(31)38)22(33-36)17-12-32-35(14-17)13-16-6-3-4-7-19(16)26(27,28)29/h3-4,6-7,12,14,18H,8-11,13,15,30H2,1H3,(H2,31,38)/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)) | BDBM394263
(US9975882, Example 54)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)| Show InChI InChI=1S/C25H26ClN7O2/c1-2-5-20(34)31-9-8-25(15-31)10-18(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-6-3-4-7-19(16)26/h3-4,6-7,12,14,18H,8-11,13,15,27H2,1H3,(H2,28,35)/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 | 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)) | BDBM394256
(US9975882, Example 47)Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 Show InChI InChI=1S/C25H24F3N7O2/c1-2-4-19(36)33-13-24(14-33)8-18(9-24)35-22(29)20(23(30)37)21(32-35)16-10-31-34(12-16)11-15-5-3-6-17(7-15)25(26,27)28/h3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37) | 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)) | BDBM394239
(US9975882, Example 30)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(F)c(c4)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,;1.63,4.29,;2.72,3.2,;4.21,3.6,;5.3,2.51,;4.61,5.08,;3.52,6.17,;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)9-17(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-4-5-19(27)18(8-15)26(28,29)30/h4-5,8,11,13,17H,6-7,9-10,12,14,31H2,1H3,(H2,32,39)/t17-,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 | 0.600 | 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)) | BDBM394227
(US9975882, Example 18)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(c3)[C@H](C)c3cccc(c3)C(F)(F)F)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,20.22,(2.06,-6.57,;.52,-6.57,;-1.02,-6.57,;-2.56,-6.57,;-3.33,-7.9,;-3.33,-5.24,;-4.87,-5.24,;-5.35,-3.77,;-4.1,-2.87,;-3.01,-1.78,;-4.1,-.69,;-5.19,-1.78,;-4.1,.85,;-2.86,1.76,;-3.33,3.22,;-2.56,4.55,;-3.04,6.02,;-1.79,6.92,;-.55,6.02,;-1.02,4.55,;.94,6.42,;1.34,7.9,;2.03,5.33,;1.63,3.84,;2.72,2.75,;4.21,3.15,;4.61,4.64,;3.52,5.73,;6.09,5.04,;7.18,3.95,;6.09,3.5,;6.49,6.52,;-4.87,3.22,;-5.64,4.55,;-4.87,5.89,;-7.18,4.55,;-5.35,1.76,;-6.68,.99,;-2.86,-3.77,)| Show InChI InChI=1S/C27H28F3N7O2/c1-3-5-21(38)35-9-8-26(15-35)11-20(12-26)37-24(31)22(25(32)39)23(34-37)18-13-33-36(14-18)16(2)17-6-4-7-19(10-17)27(28,29)30/h4,6-7,10,13-14,16,20H,8-9,11-12,15,31H2,1-2H3,(H2,32,39)/t16-,20-,26-/m1/s1 | 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 | 0.600 | 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)) | BDBM394265
(US9975882, Example 56)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.97,;1.06,-6.97,;-.48,-6.97,;-2.02,-6.97,;-2.79,-8.3,;-2.79,-5.64,;-4.33,-5.64,;-4.8,-4.17,;-3.56,-3.27,;-2.47,-2.18,;-3.56,-1.09,;-4.65,-2.18,;-3.56,.45,;-2.31,1.36,;-2.79,2.82,;-2.02,4.16,;-2.49,5.62,;-1.25,6.53,;-0,5.62,;1.49,6.02,;2.57,4.93,;2.18,3.44,;3.26,2.35,;4.75,2.75,;5.15,4.24,;6.64,4.64,;4.06,5.33,;4.46,6.82,;5.95,7.21,;3.37,7.9,;4.86,8.3,;-.48,4.16,;-4.33,2.82,;-5.1,4.16,;-4.33,5.49,;-6.64,4.16,;-4.8,1.36,;-6.14,.59,;-2.31,-4.17,)| Show InChI InChI=1S/C26H25F4N7O2/c1-2-4-19(38)35-8-7-25(14-35)9-17(10-25)37-23(31)20(24(32)39)22(34-37)16-11-33-36(13-16)12-15-5-3-6-18(27)21(15)26(28,29)30/h3,5-6,11,13,17H,7-10,12,14,31H2,1H3,(H2,32,39)/t17-,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 | 0.600 | 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)) | BDBM394218
(US9975882, Example 9)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4OC(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.73,-9.84,;-3.96,-8.5,;-3.19,-7.17,;-2.42,-5.84,;-.88,-5.84,;-3.19,-4.5,;-4.73,-4.5,;-5.2,-3.04,;-3.96,-2.13,;-2.87,-1.04,;-3.96,.05,;-5.05,-1.04,;-3.96,1.59,;-2.71,2.49,;-3.19,3.96,;-2.42,5.29,;-2.89,6.75,;-1.65,7.66,;-.4,6.75,;1.09,7.15,;2.18,6.06,;1.78,4.58,;2.87,3.49,;4.35,3.89,;4.75,5.37,;3.66,6.46,;4.06,7.95,;5.55,8.35,;6.64,7.26,;5.95,9.84,;7.04,8.75,;-.88,5.29,;-4.73,3.96,;-5.5,5.29,;-4.73,6.62,;-7.04,5.29,;-5.2,2.49,;-6.54,1.72,;-2.71,-3.04,)| Show InChI InChI=1S/C26H26F3N7O3/c1-2-5-20(37)34-9-8-25(15-34)10-18(11-25)36-23(30)21(24(31)38)22(33-36)17-12-32-35(14-17)13-16-6-3-4-7-19(16)39-26(27,28)29/h3-4,6-7,12,14,18H,8-11,13,15,30H2,1H3,(H2,31,38)/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 | 0.600 | 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)) | BDBM394220
(US9975882, Example 11)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C#N)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-9.64,;-2.81,-8.3,;-2.04,-6.97,;-1.27,-5.64,;.27,-5.64,;-2.04,-4.3,;-3.58,-4.3,;-4.06,-2.84,;-2.81,-1.93,;-1.73,-.84,;-2.81,.25,;-3.9,-.84,;-2.81,1.79,;-1.57,2.69,;-2.04,4.16,;-1.27,5.49,;-1.75,6.95,;-.5,7.86,;.74,6.95,;2.23,7.35,;3.32,6.26,;2.92,4.78,;4.01,3.69,;5.5,4.09,;5.89,5.57,;4.81,6.66,;5.2,8.15,;5.6,9.64,;.27,5.49,;-3.58,4.16,;-4.35,5.49,;-5.89,5.49,;-3.58,6.82,;-4.06,2.69,;-5.39,1.92,;-1.57,-2.84,)| Show InChI InChI=1S/C26H26N8O2/c1-2-5-21(35)32-9-8-26(16-32)10-20(11-26)34-24(28)22(25(29)36)23(31-34)19-13-30-33(15-19)14-18-7-4-3-6-17(18)12-27/h3-4,6-7,13,15,20H,8-11,14,16,28H2,1H3,(H2,29,36)/t20-,26- | 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 | 0.700 | 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 Lck
(Homo sapiens (Human)) | BDBM50126732
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5| Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of p56 Lck tyrosine kinase |
J Med Chem 46: 1337-49 (2003)
Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM394231
(US9975882, Example 22)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)| Show InChI InChI=1S/C26H26F3N7O2/c1-2-4-20(37)34-8-7-25(15-34)10-19(11-25)36-23(30)21(24(31)38)22(33-36)17-12-32-35(14-17)13-16-5-3-6-18(9-16)26(27,28)29/h3,5-6,9,12,14,19H,7-8,10-11,13,15,30H2,1H3,(H2,31,38)/t19-,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 | 0.700 | 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)) | BDBM394243
(US9975882, Example 34)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(Cl)c4)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.33,-8.75,;-3.56,-7.41,;-2.79,-6.08,;-2.02,-4.75,;-.48,-4.75,;-2.79,-3.41,;-4.33,-3.41,;-4.8,-1.95,;-3.56,-1.04,;-2.47,.05,;-3.56,1.13,;-4.65,.05,;-3.56,2.67,;-2.31,3.58,;-2.79,5.04,;-2.02,6.38,;-.48,6.38,;-0,7.84,;1.49,8.24,;2.57,7.15,;2.18,5.66,;3.26,4.58,;4.75,4.97,;5.15,6.46,;6.64,6.86,;4.06,7.55,;-1.25,8.75,;-2.49,7.84,;-3.83,8.61,;-4.33,5.04,;-5.1,6.38,;-4.33,7.71,;-6.64,6.38,;-4.8,3.58,;-6.14,2.81,;-2.31,-1.95,)| Show InChI InChI=1S/C26H28ClN7O2/c1-3-5-21(35)32-9-8-26(15-32)11-19(12-26)34-24(28)22(25(29)36)23(31-34)20-14-33(30-16(20)2)13-17-6-4-7-18(27)10-17/h4,6-7,10,14,19H,8-9,11-13,15,28H2,1-2H3,(H2,29,36)/t19-,26- | 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 | 0.700 | 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)) | BDBM394264
(US9975882, Example 55)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(F)ccc4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;3.61,1.61,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)| Show InChI InChI=1S/C25H25ClFN7O2/c1-2-3-20(35)32-7-6-25(14-32)9-18(10-25)34-23(28)21(24(29)36)22(31-34)16-11-30-33(13-16)12-15-8-17(27)4-5-19(15)26/h4-5,8,11,13,18H,6-7,9-10,12,14,28H2,1H3,(H2,29,36)/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 | 0.700 | 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)) | BDBM394260
(US9975882, Example 51)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C4CC4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(1.86,-6.08,;.32,-6.08,;-1.22,-6.08,;-2.76,-6.08,;-3.53,-7.41,;-3.53,-4.75,;-5.07,-4.75,;-5.55,-3.28,;-4.3,-2.38,;-3.21,-1.29,;-4.3,-.2,;-5.39,-1.29,;-4.3,1.34,;-3.06,2.25,;-3.53,3.71,;-2.76,5.04,;-3.24,6.51,;-1.99,7.41,;-.75,6.51,;.74,6.91,;1.83,5.82,;1.43,4.33,;2.52,3.24,;4.01,3.64,;4.41,5.13,;3.32,6.22,;5.89,5.53,;7.38,5.13,;6.98,6.62,;-1.22,5.04,;-5.07,3.71,;-5.84,5.04,;-7.38,5.04,;-5.07,6.38,;-5.55,2.25,;-6.88,1.48,;-3.06,-3.28,)| Show InChI InChI=1S/C28H31N7O2/c1-2-4-23(36)33-10-9-28(17-33)12-22(13-28)35-26(29)24(27(30)37)25(32-35)21-14-31-34(16-21)15-18-5-3-6-20(11-18)19-7-8-19/h3,5-6,11,14,16,19,22H,7-10,12-13,15,17,29H2,1H3,(H2,30,37)/t22-,28- | 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 | 0.800 | 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)) | BDBM394238
(US9975882, Example 29)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(F)cc4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3,-6.08,;1.46,-6.08,;-.08,-6.08,;-1.62,-6.08,;-2.39,-7.41,;-2.39,-4.75,;-3.93,-4.75,;-4.41,-3.28,;-3.16,-2.38,;-2.07,-1.29,;-3.16,-.2,;-4.25,-1.29,;-3.16,1.34,;-1.91,2.25,;-2.39,3.71,;-1.62,5.04,;-2.1,6.51,;-.85,7.41,;.4,6.51,;1.88,6.91,;2.97,5.82,;2.57,4.33,;3.66,3.24,;5.15,3.64,;6.24,2.55,;5.55,5.13,;4.46,6.22,;-.08,5.04,;-3.93,3.71,;-4.7,5.04,;-3.93,6.38,;-6.24,5.04,;-4.41,2.25,;-5.74,1.48,;-1.91,-3.28,)| Show InChI InChI=1S/C25H26FN7O2/c1-2-3-20(34)31-9-8-25(15-31)10-19(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-4-6-18(26)7-5-16/h4-7,12,14,19H,8-11,13,15,27H2,1H3,(H2,28,35)/t19-,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 | 0.800 | 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)) | BDBM394233
(US9975882, Example 24)Show SMILES CNc1c(C(N)=O)c(nn1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC)-c1cnn(Cc2cccc(c2)C2CC2)c1 |r,wU:10.10,wD:12.13,(-6.24,-1.53,;-5.84,-.04,;-4.35,.36,;-3.88,1.82,;-4.65,3.16,;-3.88,4.49,;-6.19,3.16,;-2.34,1.82,;-1.86,.36,;-3.11,-.55,;-3.11,-2.09,;-2.02,-3.17,;-3.11,-4.26,;-4.2,-3.17,;-4.35,-5.17,;-3.88,-6.63,;-2.34,-6.63,;-1.86,-5.17,;-1.57,-7.97,;-2.34,-9.3,;-.03,-7.97,;1.51,-7.97,;3.05,-7.97,;-1.57,3.16,;-.03,3.16,;.45,4.62,;-.8,5.53,;-.4,7.02,;1.09,7.41,;1.49,8.9,;2.97,9.3,;4.06,8.21,;3.66,6.72,;2.18,6.33,;4.75,5.63,;5.15,4.15,;6.24,5.24,;-2.04,4.62,)| Show InChI InChI=1S/C29H33N7O2/c1-3-5-24(37)34-11-10-29(18-34)13-23(14-29)36-28(31-2)25(27(30)38)26(33-36)22-15-32-35(17-22)16-19-6-4-7-21(12-19)20-8-9-20/h4,6-7,12,15,17,20,23,31H,8-11,13-14,16,18H2,1-2H3,(H2,30,38)/t23-,29- | 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 | 0.800 | 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)) | BDBM394268
(US9975882, Example 59)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)| Show InChI InChI=1S/C25H25F2N7O2/c1-2-4-19(35)32-8-7-25(14-32)9-17(10-25)34-23(28)20(24(29)36)22(31-34)16-11-30-33(13-16)12-15-5-3-6-18(26)21(15)27/h3,5-6,11,13,17H,7-10,12,14,28H2,1H3,(H2,29,36)/t17-,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 | 0.800 | 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 | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM1773
(US10280174, Comparative Compound 1 | US8476284, 4 ...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| US Patent
| n/a | n/a | 0.800 | 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)) | BDBM394211
(US9975882, Example 2)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(Cl)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)| Show InChI InChI=1S/C25H26ClN7O2/c1-2-4-20(34)31-8-7-25(15-31)10-19(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-5-3-6-18(26)9-16/h3,5-6,9,12,14,19H,7-8,10-11,13,15,27H2,1H3,(H2,28,35)/t19-,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 | 0.800 | 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)) | BDBM394246
(US9975882, Example 37)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(c4)C4CC4)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-5.07,-8.75,;-4.3,-7.41,;-3.53,-6.08,;-2.76,-4.75,;-1.22,-4.75,;-3.53,-3.41,;-5.07,-3.41,;-5.55,-1.95,;-4.3,-1.04,;-3.21,.05,;-4.3,1.13,;-5.39,.05,;-4.3,2.67,;-3.06,3.58,;-3.53,5.04,;-2.76,6.38,;-1.22,6.38,;-.75,7.84,;.74,8.24,;1.83,7.15,;1.43,5.66,;2.52,4.58,;4.01,4.97,;4.41,6.46,;3.32,7.55,;5.89,6.86,;7.38,6.46,;6.98,7.95,;-1.99,8.75,;-3.24,7.84,;-4.57,8.61,;-5.07,5.04,;-5.84,6.38,;-7.38,6.38,;-5.07,7.71,;-5.55,3.58,;-6.88,2.81,;-3.06,-1.95,)| Show InChI InChI=1S/C29H33N7O2/c1-3-5-24(37)34-11-10-29(17-34)13-22(14-29)36-27(30)25(28(31)38)26(33-36)23-16-35(32-18(23)2)15-19-6-4-7-21(12-19)20-8-9-20/h4,6-7,12,16,20,22H,8-11,13-15,17,30H2,1-2H3,(H2,31,38)/t22-,29- | 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 | 0.800 | 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)) | BDBM394240
(US9975882, Example 31)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(F)cc(c4)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,;1.63,4.29,;2.72,3.2,;2.32,1.71,;4.21,3.6,;4.61,5.08,;3.52,6.17,;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)35-5-4-25(14-35)9-19(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-6-17(26(28,29)30)8-18(27)7-15/h6-8,11,13,19H,4-5,9-10,12,14,31H2,1H3,(H2,32,39)/t19-,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 | 0.800 | 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)) | BDBM394271
(5-amino-1-(7-but-2-ynoyl-7-azaspiro[3.4]octan-2-yl...)Show SMILES CC#CC(=O)N1CCC2(CC(C2)C2(CC=C(OC(C)C)C(N)=C2)NC(=O)c2cn[nH]c2)C1 |c:22,t:15,(9.7,.97,;8.29,.35,;6.88,-.28,;5.47,-.91,;5.31,-2.44,;4.23,,;4.23,1.54,;2.76,2.02,;1.86,.77,;.77,1.86,;-.32,.77,;.77,-.32,;-1.86,.77,;-1.59,-.75,;-2.77,-1.74,;-4.22,-1.21,;-5.4,-2.2,;-6.85,-1.67,;-8.02,-2.66,;-7.11,-.16,;-4.49,.31,;-5.93,.83,;-3.31,1.3,;-1.59,2.29,;-2.77,3.28,;-4.22,2.75,;-2.5,4.79,;-1.12,5.47,;-1.33,6.99,;-2.85,7.26,;-3.57,5.9,;2.76,-.48,)| | 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 | 0.900 | 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)) | BDBM394266
(US9975882, Example 57)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(F)ccc4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.95,-6.97,;1.41,-6.97,;-.13,-6.97,;-1.67,-6.97,;-2.44,-8.3,;-2.44,-5.64,;-3.98,-5.64,;-4.46,-4.17,;-3.21,-3.27,;-2.12,-2.18,;-3.21,-1.09,;-4.3,-2.18,;-3.21,.45,;-1.97,1.36,;-2.44,2.82,;-1.67,4.16,;-2.15,5.62,;-.9,6.53,;.34,5.62,;1.83,6.02,;2.92,4.93,;2.52,3.44,;3.61,2.35,;3.21,.87,;5.1,2.75,;5.5,4.24,;4.41,5.33,;4.81,6.82,;6.29,7.21,;3.72,7.9,;5.2,8.3,;-.13,4.16,;-3.98,2.82,;-4.75,4.16,;-3.98,5.49,;-6.29,4.16,;-4.46,1.36,;-5.79,.59,;-1.97,-4.17,)| 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(27)4-5-19(15)26(28,29)30/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 | 0.900 | 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)) | BDBM394217
(US9975882, Example 8)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.92,;1.7,-7.32,;.21,-7.71,;-1.28,-8.11,;-1.67,-9.6,;-2.36,-7.02,;-3.9,-7.02,;-4.38,-5.56,;-3.13,-4.65,;-2.05,-3.56,;-3.13,-2.48,;-4.22,-3.56,;-3.13,-.94,;-1.89,-.03,;-2.36,1.43,;-1.59,2.77,;-.05,2.77,;.42,4.23,;-.82,5.14,;-.43,6.62,;1.06,7.02,;2.15,5.93,;3.64,6.33,;4.04,7.82,;2.95,8.91,;1.46,8.51,;.37,9.6,;4.73,5.24,;4.33,3.76,;6.21,5.64,;5.82,4.16,;-2.07,4.23,;-3.9,1.43,;-4.67,2.77,;-3.9,4.1,;-6.21,2.77,;-4.38,-.03,;-5.71,-.8,;-1.89,-5.56,)| Show InChI InChI=1S/C26H25ClF3N7O2/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 | 0.900 | 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)) | BDBM394244
(US9975882, Example 35)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(c4)C(F)F)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.87,-8.75,;-4.1,-7.41,;-3.33,-6.08,;-2.56,-4.75,;-1.02,-4.75,;-3.33,-3.41,;-4.87,-3.41,;-5.35,-1.95,;-4.1,-1.04,;-3.01,.05,;-4.1,1.13,;-5.19,.05,;-4.1,2.67,;-2.86,3.58,;-3.33,5.04,;-2.56,6.38,;-1.02,6.38,;-.55,7.84,;.94,8.24,;2.03,7.15,;1.63,5.66,;2.72,4.58,;4.21,4.97,;4.61,6.46,;3.52,7.55,;6.09,6.86,;6.49,8.35,;7.18,5.77,;-1.79,8.75,;-3.04,7.84,;-4.37,8.61,;-4.87,5.04,;-5.64,6.38,;-7.18,6.38,;-4.87,7.71,;-5.35,3.58,;-6.68,2.81,;-2.86,-1.95,)| Show InChI InChI=1S/C27H29F2N7O2/c1-3-5-21(37)34-9-8-27(15-34)11-19(12-27)36-25(30)22(26(31)38)23(33-36)20-14-35(32-16(20)2)13-17-6-4-7-18(10-17)24(28)29/h4,6-7,10,14,19,24H,8-9,11-13,15,30H2,1-2H3,(H2,31,38)/t19-,27- | 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 | 0.900 | 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)) | BDBM394248
(US9975882, Example 39)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(Cl)cc(c4)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,;1.63,4.29,;2.72,3.2,;2.32,1.71,;4.21,3.6,;4.61,5.08,;3.52,6.17,;6.09,5.48,;6.49,6.97,;7.18,4.39,;6.09,3.94,;-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/C26H25ClF3N7O2/c1-2-3-20(38)35-5-4-25(14-35)9-19(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-6-17(26(28,29)30)8-18(27)7-15/h6-8,11,13,19H,4-5,9-10,12,14,31H2,1H3,(H2,32,39)/t19-,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 | 0.900 | 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)) | BDBM394228
(US9975882, Example 19)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(c4)C(F)(F)F)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-1.02,5.04,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.79,7.41,;-3.04,6.51,;-4.37,7.28,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)| Show InChI InChI=1S/C27H28F3N7O2/c1-3-5-21(38)35-9-8-26(15-35)11-19(12-26)37-24(31)22(25(32)39)23(34-37)20-14-36(33-16(20)2)13-17-6-4-7-18(10-17)27(28,29)30/h4,6-7,10,14,19H,8-9,11-13,15,31H2,1-2H3,(H2,32,39)/t19-,26- | 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 | 0.900 | 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)) | BDBM394245
(US9975882, Example 36)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.87,-8.75,;-4.1,-7.41,;-3.33,-6.08,;-2.56,-4.75,;-1.02,-4.75,;-3.33,-3.41,;-4.87,-3.41,;-5.35,-1.95,;-4.1,-1.04,;-3.01,.05,;-4.1,1.13,;-5.19,.05,;-4.1,2.67,;-2.86,3.58,;-3.33,5.04,;-2.56,6.38,;-3.04,7.84,;-1.79,8.75,;-.55,7.84,;.94,8.24,;2.03,7.15,;1.63,5.66,;2.72,4.58,;4.21,4.97,;4.61,6.46,;3.52,7.55,;6.09,6.86,;6.49,8.35,;7.18,5.77,;-1.02,6.38,;-4.87,5.04,;-5.64,6.38,;-7.18,6.38,;-4.87,7.71,;-5.35,3.58,;-6.68,2.81,;-2.86,-1.95,)| Show InChI InChI=1S/C26H27F2N7O2/c1-2-4-20(36)33-8-7-26(15-33)10-19(11-26)35-24(29)21(25(30)37)22(32-35)18-12-31-34(14-18)13-16-5-3-6-17(9-16)23(27)28/h3,5-6,9,12,14,19,23H,7-8,10-11,13,15,29H2,1H3,(H2,30,37)/t19-,26- | 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 | 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)) | BDBM394224
(US9975882, Example 15)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(c3)C(C)c3cccc(c3)C(F)(F)F)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.57,;.52,-6.57,;-1.02,-6.57,;-2.56,-6.57,;-3.33,-7.9,;-3.33,-5.24,;-4.87,-5.24,;-5.35,-3.77,;-4.1,-2.87,;-3.01,-1.78,;-4.1,-.69,;-5.19,-1.78,;-4.1,.85,;-2.86,1.76,;-3.33,3.22,;-2.56,4.55,;-3.04,6.02,;-1.79,6.92,;-.55,6.02,;-1.02,4.55,;.94,6.42,;1.34,7.9,;2.03,5.33,;1.63,3.84,;2.72,2.75,;4.21,3.15,;4.61,4.64,;3.52,5.73,;6.09,5.04,;7.18,3.95,;6.09,3.5,;6.49,6.52,;-4.87,3.22,;-5.64,4.55,;-4.87,5.89,;-7.18,4.55,;-5.35,1.76,;-6.68,.99,;-2.86,-3.77,)| Show InChI InChI=1S/C27H28F3N7O2/c1-3-5-21(38)35-9-8-26(15-35)11-20(12-26)37-24(31)22(25(32)39)23(34-37)18-13-33-36(14-18)16(2)17-6-4-7-19(10-17)27(28,29)30/h4,6-7,10,13-14,16,20H,8-9,11-12,15,31H2,1-2H3,(H2,32,39)/t16?,20-,26- | 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 | 1.10 | 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)) | BDBM394212
(US9975882, Example 3)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;3.64,6.68,;2.15,6.28,;1.75,4.79,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)| Show InChI InChI=1S/C26H25ClF3N7O2/c1-2-4-19(38)35-8-7-25(14-35)9-17(10-25)37-23(31)20(24(32)39)22(34-37)16-11-33-36(13-16)12-15-5-3-6-18(21(15)27)26(28,29)30/h3,5-6,11,13,17H,7-10,12,14,31H2,1H3,(H2,32,39)/t17-,25- | PDB
MMDB
NCI pathway
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | 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 |
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Ligand-Target Pair | |
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