Found 70 hits Enz. Inhib. hit(s) with all data for entry = 373 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)) | BDBM264158
(US9714234, 33)Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3c(F)c(ccc3c12)C(C)(C)O |(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;4.22,-6.93,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-6.11,4.01,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-8.22,2.2,;-7.13,2.65,;-7.9,-.22,)| Show InChI InChI=1S/C32H26F2N4O4/c1-15-16(7-6-10-23(15)38-30(40)20-8-5-9-22(33)28(20)37(4)31(38)41)17-11-12-19(29(35)39)26-24(17)18-13-14-21(32(2,3)42)25(34)27(18)36-26/h5-14,36,42H,1-4H3,(H2,35,39) | 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 | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264140
(4-(3-(S)-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrim...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.1,.72,;1.7,-.77,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;.37,1.54,;1.7,2.31,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-8.37,.74,;-6.64,.02,;-7.8,2.85,)| Show InChI InChI=1S/C31H25ClN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38) | 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 | 0.410 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264137
(7-(2-Hydroxypropan-2-yl)-4-(3-(5-methoxy-1,3-dioxo...)Show SMILES COc1cccn2c1cc(=O)n(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(8.37,-7.31,;7.03,-6.54,;7.03,-5,;8.37,-4.23,;8.37,-2.69,;7.03,-1.92,;5.7,-2.69,;5.7,-4.23,;4.37,-5,;3.03,-4.23,;1.7,-5,;3.03,-2.69,;1.7,-1.93,;.37,-2.69,;-.97,-1.93,;-.97,-.38,;.37,.38,;1.7,-.38,;2.47,.95,;.37,1.92,;1.7,2.69,;1.7,4.23,;.37,5,;.37,6.54,;1.7,7.31,;-.97,7.31,;-.97,4.23,;-2.43,4.71,;-3.34,3.47,;-4.87,3.3,;-5.49,1.9,;-4.59,.65,;-3.06,.81,;-2.43,2.22,;-.97,2.69,;-7.03,1.9,;-8.37,1.13,;-6.64,.41,;-7.8,3.23,;4.37,-1.93,;4.37,-.38,)| Show InChI InChI=1S/C32H28N4O5/c1-17-19(7-5-8-24(17)36-27(37)16-25-26(41-4)9-6-14-35(25)31(36)39)20-12-13-22(30(33)38)29-28(20)21-11-10-18(32(2,3)40)15-23(21)34-29/h5-16,34,40H,1-4H3,(H2,33,38) | 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 | 0.520 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264156
(US9714234, 31)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CN4CCCC4)ccc3c12 |(3.89,,;2.56,-.77,;1.23,,;-.11,-.77,;-.11,-2.31,;1.23,-3.08,;2.56,-2.31,;3.89,-3.08,;3.89,-4.62,;2.56,-5.39,;5.23,-5.39,;6.56,-4.62,;7.89,-5.39,;7.89,-6.93,;9.23,-4.62,;9.23,-3.08,;7.89,-2.31,;6.56,-3.08,;5.23,-2.31,;5.23,-.77,;1.23,1.54,;2.56,2.31,;2.56,3.85,;1.23,4.62,;1.23,6.16,;2.56,6.93,;-.11,6.93,;-.11,3.85,;-1.57,4.33,;-2.48,3.08,;-4.01,2.92,;-4.64,1.51,;-6.12,1.11,;-7.21,2.2,;-6.74,3.67,;-7.98,4.57,;-9.23,3.67,;-8.75,2.2,;-3.73,.27,;-2.2,.43,;-1.57,1.83,;-.11,2.31,)| Show InChI InChI=1S/C33H28ClN5O3/c1-19-21(6-4-8-27(19)39-29(40)17-28-25(34)7-5-15-38(28)33(39)42)22-11-12-24(32(35)41)31-30(22)23-10-9-20(16-26(23)36-31)18-37-13-2-3-14-37/h4-12,15-17,36H,2-3,13-14,18H2,1H3,(H2,35,41) | 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 | 0.540 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264149
(8-Fluoro-1-methyl(d3)-3-(S)-(2-methyl-3-(4,4,5,5-t...)Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)B1OC(C)(C)C(C)(C)O1 |(-.08,9.2,;-1.42,8.43,;-2.75,9.2,;-4.08,8.43,;-4.08,6.89,;-2.75,6.12,;-1.42,6.89,;-.08,6.12,;-.08,4.58,;-1.42,3.81,;1.25,3.81,;1.25,2.27,;2.58,4.58,;3.92,3.81,;3.92,2.27,;5.25,4.58,;5.25,6.12,;3.92,6.89,;2.58,6.12,;1.25,6.89,;1.25,8.43,;-2.75,10.74,;-4,11.64,;-3.52,13.11,;-4.29,14.44,;-5.01,13.5,;-1.98,13.11,;-1.98,14.65,;-.49,13.5,;-1.5,11.64,)| Show InChI InChI=1S/C22H24BFN2O4/c1-13-15(23-29-21(2,3)22(4,5)30-23)10-8-12-17(13)26-19(27)14-9-7-11-16(24)18(14)25(6)20(26)28/h7-12H,1-6H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264136
(2-(3-Bromo-2-methylphenyl)-6-methoxy-1H-pyrido[1,2...)Show SMILES COc1ccn2c(c1)cc(=O)n(-c1cccc(Br)c1C)c2=O |(6,-2.69,;4.67,-3.46,;3.33,-2.69,;3.33,-1.15,;2,-.38,;.67,-1.15,;.67,-2.69,;2,-3.46,;-.67,-3.47,;-2,-2.69,;-3.33,-3.47,;-2,-1.15,;-3.33,-.38,;-4.67,-1.15,;-6,-.38,;-6,1.15,;-4.67,1.93,;-4.67,3.47,;-3.33,1.15,;-2,1.93,;-.67,-.38,;-.67,1.15,)| Show InChI InChI=1S/C16H13BrN2O3/c1-10-13(17)4-3-5-14(10)19-15(20)9-11-8-12(22-2)6-7-18(11)16(19)21/h3-9H,1-2H3 | 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 | 0.630 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264150
(4-(3-(S)-(8-Fluoro-1-methyl-2,4-dioxo-1,2-dihydroq...)Show SMILES Cc1cc(cc2[nH]c3c(ccc(-c4cccc(c4C)-n4c(=O)n(C)c5c(F)cccc5c4=O)c3c12)C(N)=O)C(C)(C)O |(-3.01,-1.11,;-3.01,.43,;-4.54,.27,;-5.44,1.51,;-4.82,2.92,;-3.29,3.08,;-2.38,4.33,;-.92,3.85,;.42,4.62,;1.75,3.85,;1.75,2.31,;.42,1.54,;.42,,;-.92,-.77,;-.92,-2.31,;.42,-3.08,;1.75,-2.31,;1.75,-.77,;3.08,,;3.08,-3.08,;3.08,-4.62,;1.75,-5.39,;4.42,-5.39,;4.42,-6.93,;5.75,-4.62,;7.09,-5.39,;7.09,-6.93,;8.42,-4.62,;8.42,-3.08,;7.09,-2.31,;5.75,-3.08,;4.42,-2.31,;4.42,-.77,;-.92,2.31,;-2.38,1.83,;.42,6.16,;1.75,6.93,;-.92,6.93,;-6.93,1.11,;-7.33,-.37,;-8.42,.71,;-8.02,2.2,)| Show InChI InChI=1S/C33H29FN4O4/c1-16-14-18(33(3,4)42)15-24-26(16)27-20(12-13-21(30(35)39)28(27)36-24)19-8-7-11-25(17(19)2)38-31(40)22-9-6-10-23(34)29(22)37(5)32(38)41/h6-15,36,42H,1-5H3,(H2,35,39) | 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 | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264151
(4-(3-(S)-(8-Fluoro-1-methyl-2,4-dioxo-1,2-dihydroq...)Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3c(C)c(ccc3c12)C(C)(C)O |(3.08,,;1.75,-.77,;.42,,;-.92,-.77,;-.92,-2.31,;.42,-3.08,;1.75,-2.31,;3.08,-3.08,;3.08,-4.62,;1.75,-5.39,;4.42,-5.39,;4.42,-6.93,;5.75,-4.62,;7.09,-5.39,;7.09,-6.93,;8.42,-4.62,;8.42,-3.08,;7.09,-2.31,;5.75,-3.08,;4.42,-2.31,;4.42,-.77,;.42,1.54,;1.75,2.31,;1.75,3.85,;.42,4.62,;.42,6.16,;1.75,6.93,;-.92,6.93,;-.92,3.85,;-2.38,4.33,;-3.29,3.08,;-4.82,2.92,;-5.72,4.16,;-5.44,1.51,;-4.54,.27,;-3.01,.43,;-2.38,1.83,;-.92,2.31,;-6.93,1.11,;-7.33,-.37,;-8.42,.71,;-8.02,2.2,)| Show InChI InChI=1S/C33H29FN4O4/c1-16-18(8-7-11-25(16)38-31(40)22-9-6-10-24(34)29(22)37(5)32(38)41)19-12-13-21(30(35)39)28-26(19)20-14-15-23(33(3,4)42)17(2)27(20)36-28/h6-15,36,42H,1-5H3,(H2,35,39) | 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 | 0.840 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264130
(3-(3-Bromo-2-methylphenyl)-8-fluoro-1-methyl(d3)qu...)Show SMILES Cc1c(Br)cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O |(-.91,3.78,;-2,2.69,;-3.33,3.47,;-3.33,5,;-4.67,2.69,;-4.67,1.15,;-3.33,.38,;-2,1.15,;-.67,.39,;-.67,-1.15,;-2,-1.93,;.67,-1.92,;.67,-3.46,;2,-1.15,;3.33,-1.93,;3.33,-3.47,;4.67,-1.15,;4.67,.38,;3.33,1.15,;2,.39,;.67,1.16,;.67,2.69,)| Show InChI InChI=1S/C16H12BrFN2O2/c1-9-11(17)6-4-8-13(9)20-15(21)10-5-3-7-12(18)14(10)19(2)16(20)22/h3-8H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264146
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.08,,;1.75,-.77,;.42,,;-.92,-.77,;-.92,-2.31,;.42,-3.08,;1.75,-2.31,;3.08,-3.08,;3.08,-4.62,;1.75,-5.39,;4.42,-5.39,;5.75,-4.62,;7.09,-5.39,;7.09,-6.93,;8.42,-4.62,;8.42,-3.08,;7.09,-2.31,;5.75,-3.08,;4.42,-2.31,;4.42,-.77,;.42,1.54,;1.75,2.31,;1.75,3.85,;.42,4.62,;.42,6.16,;1.75,6.93,;-.92,6.93,;-.92,3.85,;-2.38,4.33,;-3.29,3.08,;-4.82,2.92,;-5.44,1.51,;-4.54,.27,;-3.01,.43,;-2.38,1.83,;-.92,2.31,;-6.93,1.11,;-7.33,-.37,;-8.42,.71,;-8.02,2.2,)| Show InChI InChI=1S/C31H25FN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38) | 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 | 0.930 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264138
(5-Chloro-2-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)B1OC(C)(C)C(C)(C)O1 |(-.18,.84,;-1.51,.07,;-2.85,.84,;-4.18,.07,;-4.18,-1.47,;-2.85,-2.24,;-1.51,-1.47,;-.18,-2.24,;-.18,-3.78,;-1.51,-4.55,;1.16,-4.55,;2.49,-3.78,;3.82,-4.55,;3.82,-6.09,;5.16,-3.78,;5.16,-2.24,;3.82,-1.47,;2.49,-2.24,;1.16,-1.47,;1.16,.07,;-2.85,2.38,;-4.09,3.29,;-3.62,4.75,;-5.16,4.75,;-4.39,6.09,;-2.08,4.75,;-1.31,6.09,;-.54,4.75,;-1.6,3.29,)| Show InChI InChI=1S/C21H22BClN2O4/c1-13-14(22-28-20(2,3)21(4,5)29-22)8-6-10-16(13)25-18(26)12-17-15(23)9-7-11-24(17)19(25)27/h6-12H,1-5H3 | 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 | 0.940 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264139
(4-(3-(R)-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrim...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.1,10.61,;1.7,9.12,;.37,9.89,;-.97,9.12,;-.97,7.58,;.37,6.81,;1.7,7.58,;3.03,6.81,;3.03,5.27,;1.7,4.5,;4.37,4.5,;5.7,5.27,;7.03,4.5,;7.03,2.96,;8.37,5.27,;8.37,6.81,;7.03,7.58,;5.7,6.81,;4.37,7.58,;4.37,9.12,;.37,11.43,;1.7,12.2,;1.7,13.74,;.37,14.51,;.37,16.05,;1.7,16.82,;-.97,16.82,;-.97,13.74,;-2.43,14.22,;-3.34,12.97,;-4.87,12.81,;-5.49,11.4,;-4.59,10.16,;-3.06,10.32,;-2.43,11.73,;-.97,12.2,;-7.03,11.4,;-8.37,10.63,;-6.64,9.92,;-7.8,12.74,)| Show InChI InChI=1S/C31H25ClN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38) | 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 | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264155
(US9714234, 30)Show SMILES CC(=O)NCc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O |(-9.51,2.89,;-8.42,1.8,;-8.82,.32,;-6.93,2.2,;-5.84,1.11,;-4.36,1.51,;-3.45,.27,;-1.92,.43,;-1.29,1.83,;-2.2,3.08,;-3.73,2.92,;-1.29,4.33,;.17,3.85,;1.51,4.62,;2.84,3.85,;2.84,2.31,;1.51,1.54,;1.51,,;.17,-.77,;.17,-2.31,;1.51,-3.08,;2.84,-2.31,;2.84,-.77,;4.17,,;4.17,-3.08,;4.17,-4.62,;2.84,-5.39,;5.51,-5.39,;6.84,-4.62,;8.17,-5.39,;8.17,-6.93,;9.51,-4.62,;9.51,-3.08,;8.17,-2.31,;6.84,-3.08,;5.51,-2.31,;5.51,-.77,;.17,2.31,;1.51,6.16,;2.84,6.93,;.17,6.93,)| Show InChI InChI=1S/C31H24FN5O4/c1-16-19(5-3-7-25(16)37-27(39)14-26-23(32)6-4-12-36(26)31(37)41)20-10-11-22(30(33)40)29-28(20)21-9-8-18(13-24(21)35-29)15-34-17(2)38/h3-14,35H,15H2,1-2H3,(H2,33,40)(H,34,38) | 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 | 1.20 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264148
(4-Bromo-7-(2-hydroxypropan-2-yl)-8-methyl-9H-carba...)Show SMILES Cc1cc(c(C)c2[nH]c3c(ccc(Br)c3c12)C(N)=O)C(C)(C)O Show InChI InChI=1S/C18H19BrN2O2/c1-8-7-11(18(3,4)23)9(2)15-13(8)14-12(19)6-5-10(17(20)22)16(14)21-15/h5-7,21,23H,1-4H3,(H2,20,22) | 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 | 1.20 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264152
(4-(3-(S)-(8-Fluoro-1-methyl(d3)-2,4-dioxo-1,2-dihy...)Show SMILES Cc1cc(cc2[nH]c3c(ccc(-c4cccc(c4C)-n4c(=O)n(C)c5c(F)cccc5c4=O)c3c12)C(N)=O)C(C)(C)O |(-3.01,-.34,;-3.01,1.2,;-4.54,1.04,;-5.44,2.28,;-4.82,3.69,;-3.29,3.85,;-2.38,5.1,;-.92,4.62,;.42,5.39,;1.75,4.62,;1.75,3.08,;.42,2.31,;.42,.77,;-.92,,;-.92,-1.54,;.42,-2.31,;1.75,-1.54,;1.75,,;3.08,.77,;3.08,-2.31,;3.08,-3.85,;1.75,-4.62,;4.42,-4.62,;4.42,-6.16,;5.75,-3.85,;7.09,-4.62,;7.09,-6.16,;8.42,-3.85,;8.42,-2.31,;7.09,-1.54,;5.75,-2.31,;4.42,-1.54,;4.42,,;-.92,3.08,;-2.38,2.6,;.42,6.93,;1.75,7.7,;-.92,7.7,;-6.93,1.88,;-7.33,.4,;-8.42,1.48,;-8.02,2.97,)| Show InChI InChI=1S/C33H29FN4O4/c1-16-14-18(33(3,4)42)15-24-26(16)27-20(12-13-21(30(35)39)28(27)36-24)19-8-7-11-25(17(19)2)38-31(40)22-9-6-10-23(34)29(22)37(5)32(38)41/h6-15,36,42H,1-5H3,(H2,35,39) | 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 | 1.20 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264135
(2-(3-Bromo-2-methylphenyl)-5-methoxy-1H-pyrido[1,2...)Show SMILES COc1cccn2c1cc(=O)n(-c1cccc(Br)c1C)c2=O |(4.67,-4.62,;3.33,-3.85,;3.33,-2.31,;4.67,-1.54,;4.67,,;3.33,.77,;2,,;2,-1.54,;.67,-2.31,;-.67,-1.54,;-2,-2.31,;-.67,,;-2,.77,;-3.33,,;-4.67,.77,;-4.67,2.31,;-3.33,3.08,;-3.33,4.62,;-2,2.31,;-.67,3.08,;.67,.77,;.67,2.31,)| Show InChI InChI=1S/C16H13BrN2O3/c1-10-11(17)5-3-6-12(10)19-15(20)9-13-14(22-2)7-4-8-18(13)16(19)21/h3-9H,1-2H3 | 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 | 1.40 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264154
(US9714234, 29)Show SMILES CN(C)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O |(-8.22,2.2,;-7.13,1.11,;-7.53,-.37,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-3.49,3.08,;-5.02,2.92,;-2.58,4.33,;-1.12,3.85,;.22,4.62,;1.55,3.85,;1.55,2.31,;.22,1.54,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;1.55,-.77,;2.89,,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;-1.12,2.31,;.22,6.16,;1.55,6.93,;-1.12,6.93,)| Show InChI InChI=1S/C30H24FN5O3/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(31)7-5-13-35(25)30(36)39)19-11-12-21(29(32)38)28-27(19)20-10-9-17(34(2)3)14-23(20)33-28/h4-15,33H,1-3H3,(H2,32,38) | 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 | 1.5 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264126
(4-(3-(8-Fluoro-2,4-dioxo-1,2-dihydroquinazolin-3(4...)Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-7.53,-.37,;-6.04,.02,;-8.22,2.2,)| Show InChI InChI=1S/C31H25FN4O4/c1-15-17(6-5-9-24(15)36-29(38)21-7-4-8-22(32)26(21)35-30(36)39)18-12-13-20(28(33)37)27-25(18)19-11-10-16(31(2,3)40)14-23(19)34-27/h4-14,34,40H,1-3H3,(H2,33,37)(H,35,39) | 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 | 1.5 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264153
(US9714234, 28)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CO)ccc3c12 |(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-7.13,1.11,;-8.22,2.2,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,)| Show InChI InChI=1S/C29H21FN4O4/c1-15-17(4-2-6-23(15)34-25(36)13-24-21(30)5-3-11-33(24)29(34)38)18-9-10-20(28(31)37)27-26(18)19-8-7-16(14-35)12-22(19)32-27/h2-13,32,35H,14H2,1H3,(H2,31,37) | 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 | 1.5 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264145
(4-(3-(5,7-Dioxo-5H-thiazolo[3,2-c]pyrimidin-6(7H)-...)Show SMILES Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.23,-.77,;1.9,-1.54,;.57,-.77,;-.77,-1.54,;-.77,-3.08,;.57,-3.85,;1.9,-3.08,;3.23,-3.85,;3.23,-5.39,;1.9,-6.16,;4.57,-6.16,;5.9,-5.39,;7.37,-5.87,;8.27,-4.62,;7.37,-3.37,;5.9,-3.85,;4.57,-3.08,;4.57,-1.54,;.57,.77,;1.9,1.54,;1.9,3.08,;.57,3.85,;.57,5.39,;1.9,6.16,;-.77,6.16,;-.77,3.08,;-2.23,3.56,;-3.14,2.31,;-4.67,2.15,;-5.3,.74,;-4.39,-.5,;-2.86,-.34,;-2.23,1.06,;-.77,1.54,;-6.78,.34,;-7.18,-1.14,;-8.27,-.06,;-7.87,1.43,)| Show InChI InChI=1S/C29H24N4O4S/c1-15-17(5-4-6-22(15)33-23(34)14-24-32(28(33)36)11-12-38-24)18-9-10-20(27(30)35)26-25(18)19-8-7-16(29(2,3)37)13-21(19)31-26/h4-14,31,37H,1-3H3,(H2,30,35) | 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 | 1.60 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264144
(5-Fluoro-2-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)B1OC(C)(C)C(C)(C)O1 |(-.42,1.16,;-1.51,.07,;-2.85,.84,;-4.18,.07,;-4.18,-1.47,;-2.85,-2.24,;-1.51,-1.47,;-.18,-2.24,;-.18,-3.78,;-1.51,-4.55,;1.15,-4.55,;2.49,-3.78,;3.82,-4.55,;3.82,-6.09,;5.16,-3.78,;5.16,-2.24,;3.82,-1.47,;2.49,-2.24,;1.16,-1.47,;1.16,.07,;-2.85,2.38,;-4.09,3.29,;-3.62,4.75,;-5.16,4.75,;-4.39,6.09,;-2.08,4.75,;-.54,4.75,;-1.31,6.09,;-1.6,3.29,)| Show InChI InChI=1S/C21H22BFN2O4/c1-13-14(22-28-20(2,3)21(4,5)29-22)8-6-10-16(13)25-18(26)12-17-15(23)9-7-11-24(17)19(25)27/h6-12H,1-5H3 | 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 | 1.60 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264146
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.08,,;1.75,-.77,;.42,,;-.92,-.77,;-.92,-2.31,;.42,-3.08,;1.75,-2.31,;3.08,-3.08,;3.08,-4.62,;1.75,-5.39,;4.42,-5.39,;5.75,-4.62,;7.09,-5.39,;7.09,-6.93,;8.42,-4.62,;8.42,-3.08,;7.09,-2.31,;5.75,-3.08,;4.42,-2.31,;4.42,-.77,;.42,1.54,;1.75,2.31,;1.75,3.85,;.42,4.62,;.42,6.16,;1.75,6.93,;-.92,6.93,;-.92,3.85,;-2.38,4.33,;-3.29,3.08,;-4.82,2.92,;-5.44,1.51,;-4.54,.27,;-3.01,.43,;-2.38,1.83,;-.92,2.31,;-6.93,1.11,;-7.33,-.37,;-8.42,.71,;-8.02,2.2,)| Show InChI InChI=1S/C31H25FN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38) | 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 | 1.70 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264142
(4-(3-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CCO)ccc3c12 |(2.96,.56,;2.19,-.77,;.85,,;-.48,-.77,;-.48,-2.31,;.85,-3.08,;2.19,-2.31,;3.52,-3.08,;3.52,-4.62,;2.19,-5.39,;4.86,-5.39,;6.19,-4.62,;7.52,-5.39,;7.52,-6.93,;8.86,-4.62,;8.86,-3.08,;7.52,-2.31,;6.19,-3.08,;4.86,-2.31,;4.86,-.77,;.85,1.54,;2.19,2.31,;2.19,3.85,;.85,4.62,;.85,6.16,;2.19,6.93,;-.48,6.93,;-.48,3.85,;-1.94,4.33,;-2.85,3.08,;-4.38,2.92,;-5.01,1.51,;-6.54,1.35,;-7.44,2.6,;-8.98,2.44,;-4.1,.27,;-2.57,.43,;-1.94,1.83,;-.48,2.31,)| Show InChI InChI=1S/C30H23ClN4O4/c1-16-18(4-2-6-24(16)35-26(37)15-25-22(31)5-3-12-34(25)30(35)39)19-9-10-21(29(32)38)28-27(19)20-8-7-17(11-13-36)14-23(20)33-28/h2-10,12,14-15,33,36H,11,13H2,1H3,(H2,32,38) | 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 | 1.70 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264132
(7-(2-Hydroxypropan-2-yl)-4-(3-(8-methoxy-1-methyl-...)Show SMILES COc1cccc2c1n(C)c(=O)n(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(8.25,-7.31,;6.91,-6.54,;6.91,-5,;8.25,-4.23,;8.25,-2.69,;6.91,-1.92,;5.58,-2.69,;5.58,-4.23,;4.25,-5,;4.25,-6.54,;2.91,-4.23,;1.58,-5,;2.91,-2.69,;1.58,-1.93,;.24,-2.69,;-1.09,-1.92,;-1.09,-.38,;.24,.38,;1.58,-.38,;1.98,1.1,;.24,1.93,;1.58,2.69,;1.58,4.23,;.24,5,;.24,6.54,;1.58,7.31,;-1.09,7.31,;-1.09,4.23,;-2.55,4.71,;-3.46,3.47,;-4.99,3.3,;-5.62,1.9,;-4.71,.65,;-3.18,.81,;-2.55,2.22,;-1.09,2.69,;-7.16,1.9,;-8.25,.81,;-6.76,.41,;-7.93,3.23,;4.25,-1.93,;4.25,-.38,)| Show InChI InChI=1S/C33H30N4O5/c1-17-19(8-6-10-25(17)37-31(39)23-9-7-11-26(42-5)29(23)36(4)32(37)40)20-14-15-22(30(34)38)28-27(20)21-13-12-18(33(2,3)41)16-24(21)35-28/h6-16,35,41H,1-5H3,(H2,34,38) | 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 | 1.70 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264141
(4-(3-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(NC(=O)C(C)(C)C)ccc3c12 |(3.73,.56,;2.96,-.77,;1.62,,;.29,-.77,;.29,-2.31,;1.62,-3.08,;2.96,-2.31,;4.29,-3.08,;4.29,-4.62,;2.96,-5.39,;5.63,-5.39,;6.96,-4.62,;8.29,-5.39,;8.29,-6.93,;9.63,-4.62,;9.63,-3.08,;8.29,-2.31,;6.96,-3.08,;5.63,-2.31,;5.63,-.77,;1.62,1.54,;2.96,2.31,;2.96,3.85,;1.62,4.62,;1.62,6.16,;2.96,6.93,;.29,6.93,;.29,3.85,;-1.17,4.33,;-2.08,3.08,;-3.61,2.92,;-4.24,1.51,;-5.78,1.51,;-6.55,2.85,;-5.78,4.18,;-8.09,2.85,;-9.18,3.93,;-9.63,2.85,;-8.86,1.51,;-3.33,.27,;-1.8,.43,;-1.17,1.83,;.29,2.31,)| Show InChI InChI=1S/C33H28ClN5O4/c1-17-19(7-5-9-25(17)39-27(40)16-26-23(34)8-6-14-38(26)32(39)43)20-12-13-22(30(35)41)29-28(20)21-11-10-18(15-24(21)37-29)36-31(42)33(2,3)4/h5-16,37H,1-4H3,(H2,35,41)(H,36,42) | 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 | 2.10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264134
(4-(3-(3-(4-Fluorophenyl)-2,6-dioxo-2,3-dihydropyri...)Show SMILES Cc1c(cccc1-n1c(=O)ccn(-c2ccc(F)cc2)c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(1.14,-.21,;.37,-1.54,;-.97,-.77,;-2.3,-1.54,;-2.3,-3.08,;-.97,-3.85,;.37,-3.08,;1.7,-3.85,;1.7,-5.39,;.37,-6.16,;3.03,-6.16,;4.37,-5.39,;4.37,-3.85,;5.7,-3.08,;7.03,-3.85,;8.37,-3.08,;8.37,-1.54,;9.7,-.77,;7.03,-.77,;5.7,-1.54,;3.03,-3.08,;3.03,-1.54,;-.97,.77,;.37,1.54,;.37,3.08,;-.97,3.85,;-.97,5.39,;.37,6.16,;-2.3,6.16,;-2.3,3.08,;-3.77,3.56,;-4.67,2.31,;-6.2,2.15,;-6.83,.74,;-5.92,-.5,;-4.39,-.34,;-3.77,1.06,;-2.3,1.54,;-8.37,.74,;-8.37,2.28,;-9.7,1.51,;-9.14,-.59,)| Show InChI InChI=1S/C33H27FN4O4/c1-18-22(5-4-6-27(18)38-28(39)15-16-37(32(38)41)21-10-8-20(34)9-11-21)23-13-14-25(31(35)40)30-29(23)24-12-7-19(33(2,3)42)17-26(24)36-30/h4-17,36,42H,1-3H3,(H2,35,40) | 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 | 2.20 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50194721
(CHEMBL3908310 | US9714234, 4)Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(15.71,-28.16,;14.37,-28.91,;13.05,-28.13,;11.71,-28.87,;11.68,-30.41,;13.01,-31.2,;14.35,-30.44,;15.68,-31.22,;15.66,-32.76,;14.31,-33.51,;16.97,-33.55,;16.95,-35.09,;18.31,-32.8,;19.63,-33.58,;19.61,-35.12,;20.98,-32.83,;20.99,-31.29,;19.67,-30.51,;18.34,-31.26,;17.01,-30.47,;17.03,-28.93,;13.08,-26.59,;14.43,-25.84,;14.45,-24.29,;13.12,-23.51,;13.14,-21.97,;14.48,-21.21,;11.82,-21.18,;11.78,-24.26,;10.31,-23.75,;9.38,-24.99,;7.85,-25.13,;7.2,-26.52,;8.07,-27.79,;9.61,-27.66,;10.27,-26.26,;11.75,-25.8,;5.66,-26.64,;4.26,-25.99,;5.53,-25.1,;5.01,-28.04,)| Show InChI InChI=1S/C32H27FN4O4/c1-16-18(7-6-10-25(16)37-30(39)22-8-5-9-23(33)28(22)36(4)31(37)40)19-13-14-21(29(34)38)27-26(19)20-12-11-17(32(2,3)41)15-24(20)35-27/h5-15,35,41H,1-4H3,(H2,34,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264143
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CCO)ccc3c12 |(2.96,.56,;2.19,-.77,;.85,,;-.48,-.77,;-.48,-2.31,;.85,-3.08,;2.19,-2.31,;3.52,-3.08,;3.52,-4.62,;2.19,-5.39,;4.86,-5.39,;6.19,-4.62,;7.52,-5.39,;7.52,-6.93,;8.86,-4.62,;8.86,-3.08,;7.52,-2.31,;6.19,-3.08,;4.86,-2.31,;4.86,-.77,;.85,1.54,;2.19,2.31,;2.19,3.85,;.85,4.62,;.85,6.16,;2.19,6.93,;-.48,6.93,;-.48,3.85,;-1.94,4.33,;-2.85,3.08,;-4.38,2.92,;-5.01,1.51,;-6.54,1.35,;-7.44,2.6,;-8.98,2.44,;-4.1,.27,;-2.57,.43,;-1.94,1.83,;-.48,2.31,)| Show InChI InChI=1S/C30H23FN4O4/c1-16-18(4-2-6-24(16)35-26(37)15-25-22(31)5-3-12-34(25)30(35)39)19-9-10-21(29(32)38)28-27(19)20-8-7-17(11-13-36)14-23(20)33-28/h2-10,12,14-15,33,36H,11,13H2,1H3,(H2,32,38) | 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 | 2.30 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264157
(US9714234, 32)Show SMILES COCc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O |(-8.96,1.8,;-7.48,2.2,;-6.39,1.11,;-4.9,1.51,;-3.99,.27,;-2.46,.43,;-1.84,1.83,;-2.74,3.08,;-4.27,2.92,;-1.84,4.33,;-.37,3.85,;.96,4.62,;2.3,3.85,;2.3,2.31,;.96,1.54,;.96,,;-.37,-.77,;-.37,-2.31,;.96,-3.08,;2.3,-2.31,;2.3,-.77,;3.63,,;3.63,-3.08,;3.63,-4.62,;2.3,-5.39,;4.96,-5.39,;6.3,-4.62,;7.63,-5.39,;7.63,-6.93,;8.96,-4.62,;8.96,-3.08,;7.63,-2.31,;6.3,-3.08,;4.96,-2.31,;4.96,-.77,;-.37,2.31,;.96,6.16,;2.3,6.93,;-.37,6.93,)| Show InChI InChI=1S/C30H23FN4O4/c1-16-18(5-3-7-24(16)35-26(36)14-25-22(31)6-4-12-34(25)30(35)38)19-10-11-21(29(32)37)28-27(19)20-9-8-17(15-39-2)13-23(20)33-28/h3-14,33H,15H2,1-2H3,(H2,32,37) | 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 | 2.30 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264127
(8-Fluoro-1-methyl-3-(2-methyl-3-(4,4,5,5-tetrameth...)Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)B1OC(C)(C)C(C)(C)O1 |(-.42,1.09,;-1.51,-0,;-2.85,.77,;-4.18,-0,;-4.18,-1.54,;-2.85,-2.31,;-1.51,-1.54,;-.18,-2.31,;-.18,-3.85,;-1.51,-4.62,;1.16,-4.62,;1.16,-6.16,;2.49,-3.85,;3.82,-4.62,;3.82,-6.16,;5.16,-3.85,;5.16,-2.31,;3.82,-1.54,;2.49,-2.31,;1.16,-1.54,;1.16,-0,;-2.85,2.31,;-4.09,3.21,;-3.62,4.68,;-5.16,4.68,;-4.01,6.16,;-2.08,4.68,;-.54,4.68,;-1.68,6.16,;-1.6,3.21,)| Show InChI InChI=1S/C22H24BFN2O4/c1-13-15(23-29-21(2,3)22(4,5)30-23)10-8-12-17(13)26-19(27)14-9-7-11-16(24)18(14)25(6)20(26)28/h7-12H,1-6H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM230144
(US10106559, Comparative Example 75 | US9334290, Co...)Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C31H26N4O3/c1-17-19(8-6-10-26(17)35-16-33-24-9-5-4-7-22(24)30(35)37)20-13-14-23(29(32)36)28-27(20)21-12-11-18(31(2,3)38)15-25(21)34-28/h4-16,34,38H,1-3H3,(H2,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50194721
(CHEMBL3908310 | US9714234, 4)Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(15.71,-28.16,;14.37,-28.91,;13.05,-28.13,;11.71,-28.87,;11.68,-30.41,;13.01,-31.2,;14.35,-30.44,;15.68,-31.22,;15.66,-32.76,;14.31,-33.51,;16.97,-33.55,;16.95,-35.09,;18.31,-32.8,;19.63,-33.58,;19.61,-35.12,;20.98,-32.83,;20.99,-31.29,;19.67,-30.51,;18.34,-31.26,;17.01,-30.47,;17.03,-28.93,;13.08,-26.59,;14.43,-25.84,;14.45,-24.29,;13.12,-23.51,;13.14,-21.97,;14.48,-21.21,;11.82,-21.18,;11.78,-24.26,;10.31,-23.75,;9.38,-24.99,;7.85,-25.13,;7.2,-26.52,;8.07,-27.79,;9.61,-27.66,;10.27,-26.26,;11.75,-25.8,;5.66,-26.64,;4.26,-25.99,;5.53,-25.1,;5.01,-28.04,)| Show InChI InChI=1S/C32H27FN4O4/c1-16-18(7-6-10-25(16)37-30(39)22-8-5-9-23(33)28(22)36(4)31(37)40)19-13-14-21(29(34)38)27-26(19)20-12-11-17(32(2,3)41)15-24(20)35-27/h5-15,35,41H,1-4H3,(H2,34,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264131
(3-(3-Bromo-2-methylphenyl)-8-methoxy-1-methylquina...)Show SMILES COc1cccc2c1n(C)c(=O)n(-c1cccc(Br)c1C)c2=O |(4.67,-4.62,;3.33,-3.85,;3.33,-2.31,;4.67,-1.54,;4.67,,;3.33,.77,;2,,;2,-1.54,;.67,-2.31,;.67,-3.85,;-.67,-1.54,;-2,-2.31,;-.67,,;-2,.77,;-3.33,,;-4.67,.77,;-4.67,2.31,;-3.33,3.08,;-3.33,4.62,;-2,2.31,;-.91,3.4,;.67,.77,;.67,2.31,)| Show InChI InChI=1S/C17H15BrN2O3/c1-10-12(18)7-5-8-13(10)20-16(21)11-6-4-9-14(23-3)15(11)19(2)17(20)22/h4-9H,1-3H3 | 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 | 5.30 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM264133
((Z)-4-((3-Bromo-2-chlorophenyl)imino)-1-methyl-1H-...)Show InChI InChI=1S/C15H10BrClN2O2/c1-19-12-8-3-2-5-9(12)14(21-15(19)20)18-11-7-4-6-10(16)13(11)17/h2-8H,1H3/b18-14- | 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 | 5.80 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM230145
(US10106559, Comparative Example 76 | US10435415, E...)Show SMILES Cc1nc(C(N)=O)c2[nH]c3cc(ccc3c2c1-c1cccc(c1C)-n1cnc2ccccc2c1=O)C(C)(C)O |(3.34,1.54,;1.8,1.54,;1.8,3.08,;.47,3.85,;.47,5.39,;1.8,6.16,;-.86,6.16,;-.86,3.08,;-2.33,3.56,;-3.23,2.31,;-4.77,2.15,;-5.39,.74,;-4.49,-.5,;-2.95,-.34,;-2.33,1.06,;-.86,1.54,;.47,.77,;.47,-.77,;-.86,-1.54,;-.86,-3.08,;.47,-3.85,;1.8,-3.08,;1.8,-1.54,;3.14,-.77,;3.14,-3.85,;3.14,-5.39,;4.47,-6.16,;5.8,-5.39,;7.14,-6.16,;8.47,-5.39,;8.47,-3.85,;7.14,-3.08,;5.8,-3.85,;4.47,-3.08,;4.47,-1.54,;-6.93,.74,;-7.7,-.59,;-8.47,.74,;-7.7,2.08,)| Show InChI InChI=1S/C31H27N5O3/c1-16-19(9-7-11-24(16)36-15-33-22-10-6-5-8-21(22)30(36)38)25-17(2)34-28(29(32)37)27-26(25)20-13-12-18(31(3,4)39)14-23(20)35-27/h5-15,35,39H,1-4H3,(H2,32,37) | 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 | 6.90 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 μM), A... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264156
(US9714234, 31)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CN4CCCC4)ccc3c12 |(3.89,,;2.56,-.77,;1.23,,;-.11,-.77,;-.11,-2.31,;1.23,-3.08,;2.56,-2.31,;3.89,-3.08,;3.89,-4.62,;2.56,-5.39,;5.23,-5.39,;6.56,-4.62,;7.89,-5.39,;7.89,-6.93,;9.23,-4.62,;9.23,-3.08,;7.89,-2.31,;6.56,-3.08,;5.23,-2.31,;5.23,-.77,;1.23,1.54,;2.56,2.31,;2.56,3.85,;1.23,4.62,;1.23,6.16,;2.56,6.93,;-.11,6.93,;-.11,3.85,;-1.57,4.33,;-2.48,3.08,;-4.01,2.92,;-4.64,1.51,;-6.12,1.11,;-7.21,2.2,;-6.74,3.67,;-7.98,4.57,;-9.23,3.67,;-8.75,2.2,;-3.73,.27,;-2.2,.43,;-1.57,1.83,;-.11,2.31,)| Show InChI InChI=1S/C33H28ClN5O3/c1-19-21(6-4-8-27(19)39-29(40)17-28-25(34)7-5-15-38(28)33(39)42)22-11-12-24(32(35)41)31-30(22)23-10-9-20(16-26(23)36-31)18-37-13-2-3-14-37/h4-12,15-17,36H,2-3,13-14,18H2,1H3,(H2,35,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM230145
(US10106559, Comparative Example 76 | US10435415, E...)Show SMILES Cc1nc(C(N)=O)c2[nH]c3cc(ccc3c2c1-c1cccc(c1C)-n1cnc2ccccc2c1=O)C(C)(C)O |(3.34,1.54,;1.8,1.54,;1.8,3.08,;.47,3.85,;.47,5.39,;1.8,6.16,;-.86,6.16,;-.86,3.08,;-2.33,3.56,;-3.23,2.31,;-4.77,2.15,;-5.39,.74,;-4.49,-.5,;-2.95,-.34,;-2.33,1.06,;-.86,1.54,;.47,.77,;.47,-.77,;-.86,-1.54,;-.86,-3.08,;.47,-3.85,;1.8,-3.08,;1.8,-1.54,;3.14,-.77,;3.14,-3.85,;3.14,-5.39,;4.47,-6.16,;5.8,-5.39,;7.14,-6.16,;8.47,-5.39,;8.47,-3.85,;7.14,-3.08,;5.8,-3.85,;4.47,-3.08,;4.47,-1.54,;-6.93,.74,;-7.7,-.59,;-8.47,.74,;-7.7,2.08,)| Show InChI InChI=1S/C31H27N5O3/c1-16-19(9-7-11-24(16)36-15-33-22-10-6-5-8-21(22)30(36)38)25-17(2)34-28(29(32)37)27-26(25)20-13-12-18(31(3,4)39)14-23(20)35-27/h5-15,35,39H,1-4H3,(H2,32,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264158
(US9714234, 33)Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3c(F)c(ccc3c12)C(C)(C)O |(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;4.22,-6.93,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-6.11,4.01,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-8.22,2.2,;-7.13,2.65,;-7.9,-.22,)| Show InChI InChI=1S/C32H26F2N4O4/c1-15-16(7-6-10-23(15)38-30(40)20-8-5-9-22(33)28(20)37(4)31(38)41)17-11-12-19(29(35)39)26-24(17)18-13-14-21(32(2,3)42)25(34)27(18)36-26/h5-14,36,42H,1-4H3,(H2,35,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM230144
(US10106559, Comparative Example 75 | US9334290, Co...)Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C31H26N4O3/c1-17-19(8-6-10-26(17)35-16-33-24-9-5-4-7-22(24)30(35)37)20-13-14-23(29(32)36)28-27(20)21-12-11-18(31(2,3)38)15-25(21)34-28/h4-16,34,38H,1-3H3,(H2,32,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264155
(US9714234, 30)Show SMILES CC(=O)NCc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O |(-9.51,2.89,;-8.42,1.8,;-8.82,.32,;-6.93,2.2,;-5.84,1.11,;-4.36,1.51,;-3.45,.27,;-1.92,.43,;-1.29,1.83,;-2.2,3.08,;-3.73,2.92,;-1.29,4.33,;.17,3.85,;1.51,4.62,;2.84,3.85,;2.84,2.31,;1.51,1.54,;1.51,,;.17,-.77,;.17,-2.31,;1.51,-3.08,;2.84,-2.31,;2.84,-.77,;4.17,,;4.17,-3.08,;4.17,-4.62,;2.84,-5.39,;5.51,-5.39,;6.84,-4.62,;8.17,-5.39,;8.17,-6.93,;9.51,-4.62,;9.51,-3.08,;8.17,-2.31,;6.84,-3.08,;5.51,-2.31,;5.51,-.77,;.17,2.31,;1.51,6.16,;2.84,6.93,;.17,6.93,)| Show InChI InChI=1S/C31H24FN5O4/c1-16-19(5-3-7-25(16)37-27(39)14-26-23(32)6-4-12-36(26)31(37)41)20-10-11-22(30(33)40)29-28(20)21-9-8-18(13-24(21)35-29)15-34-17(2)38/h3-14,35H,15H2,1-2H3,(H2,33,40)(H,34,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264154
(US9714234, 29)Show SMILES CN(C)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O |(-8.22,2.2,;-7.13,1.11,;-7.53,-.37,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-3.49,3.08,;-5.02,2.92,;-2.58,4.33,;-1.12,3.85,;.22,4.62,;1.55,3.85,;1.55,2.31,;.22,1.54,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;1.55,-.77,;2.89,,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;-1.12,2.31,;.22,6.16,;1.55,6.93,;-1.12,6.93,)| Show InChI InChI=1S/C30H24FN5O3/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(31)7-5-13-35(25)30(36)39)19-11-12-21(29(32)38)28-27(19)20-10-9-17(34(2)3)14-23(20)33-28/h4-15,33H,1-3H3,(H2,32,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264145
(4-(3-(5,7-Dioxo-5H-thiazolo[3,2-c]pyrimidin-6(7H)-...)Show SMILES Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.23,-.77,;1.9,-1.54,;.57,-.77,;-.77,-1.54,;-.77,-3.08,;.57,-3.85,;1.9,-3.08,;3.23,-3.85,;3.23,-5.39,;1.9,-6.16,;4.57,-6.16,;5.9,-5.39,;7.37,-5.87,;8.27,-4.62,;7.37,-3.37,;5.9,-3.85,;4.57,-3.08,;4.57,-1.54,;.57,.77,;1.9,1.54,;1.9,3.08,;.57,3.85,;.57,5.39,;1.9,6.16,;-.77,6.16,;-.77,3.08,;-2.23,3.56,;-3.14,2.31,;-4.67,2.15,;-5.3,.74,;-4.39,-.5,;-2.86,-.34,;-2.23,1.06,;-.77,1.54,;-6.78,.34,;-7.18,-1.14,;-8.27,-.06,;-7.87,1.43,)| Show InChI InChI=1S/C29H24N4O4S/c1-15-17(5-4-6-22(15)33-23(34)14-24-32(28(33)36)11-12-38-24)18-9-10-20(27(30)35)26-25(18)19-8-7-16(29(2,3)37)13-21(19)31-26/h4-14,31,37H,1-3H3,(H2,30,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264143
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CCO)ccc3c12 |(2.96,.56,;2.19,-.77,;.85,,;-.48,-.77,;-.48,-2.31,;.85,-3.08,;2.19,-2.31,;3.52,-3.08,;3.52,-4.62,;2.19,-5.39,;4.86,-5.39,;6.19,-4.62,;7.52,-5.39,;7.52,-6.93,;8.86,-4.62,;8.86,-3.08,;7.52,-2.31,;6.19,-3.08,;4.86,-2.31,;4.86,-.77,;.85,1.54,;2.19,2.31,;2.19,3.85,;.85,4.62,;.85,6.16,;2.19,6.93,;-.48,6.93,;-.48,3.85,;-1.94,4.33,;-2.85,3.08,;-4.38,2.92,;-5.01,1.51,;-6.54,1.35,;-7.44,2.6,;-8.98,2.44,;-4.1,.27,;-2.57,.43,;-1.94,1.83,;-.48,2.31,)| Show InChI InChI=1S/C30H23FN4O4/c1-16-18(4-2-6-24(16)35-26(37)15-25-22(31)5-3-12-34(25)30(35)39)19-9-10-21(29(32)38)28-27(19)20-8-7-17(11-13-36)14-23(20)33-28/h2-10,12,14-15,33,36H,11,13H2,1H3,(H2,32,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264157
(US9714234, 32)Show SMILES COCc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O |(-8.96,1.8,;-7.48,2.2,;-6.39,1.11,;-4.9,1.51,;-3.99,.27,;-2.46,.43,;-1.84,1.83,;-2.74,3.08,;-4.27,2.92,;-1.84,4.33,;-.37,3.85,;.96,4.62,;2.3,3.85,;2.3,2.31,;.96,1.54,;.96,,;-.37,-.77,;-.37,-2.31,;.96,-3.08,;2.3,-2.31,;2.3,-.77,;3.63,,;3.63,-3.08,;3.63,-4.62,;2.3,-5.39,;4.96,-5.39,;6.3,-4.62,;7.63,-5.39,;7.63,-6.93,;8.96,-4.62,;8.96,-3.08,;7.63,-2.31,;6.3,-3.08,;4.96,-2.31,;4.96,-.77,;-.37,2.31,;.96,6.16,;2.3,6.93,;-.37,6.93,)| Show InChI InChI=1S/C30H23FN4O4/c1-16-18(5-3-7-24(16)35-26(36)14-25-22(31)6-4-12-34(25)30(35)38)19-10-11-21(29(32)37)28-27(19)20-9-8-17(15-39-2)13-23(20)33-28/h3-14,33H,15H2,1-2H3,(H2,32,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264153
(US9714234, 28)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CO)ccc3c12 |(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-7.13,1.11,;-8.22,2.2,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,)| Show InChI InChI=1S/C29H21FN4O4/c1-15-17(4-2-6-23(15)34-25(36)13-24-21(30)5-3-11-33(24)29(34)38)18-9-10-20(28(31)37)27-26(18)19-8-7-16(14-35)12-22(19)32-27/h2-13,32,35H,14H2,1H3,(H2,31,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264127
(8-Fluoro-1-methyl-3-(2-methyl-3-(4,4,5,5-tetrameth...)Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)B1OC(C)(C)C(C)(C)O1 |(-.42,1.09,;-1.51,-0,;-2.85,.77,;-4.18,-0,;-4.18,-1.54,;-2.85,-2.31,;-1.51,-1.54,;-.18,-2.31,;-.18,-3.85,;-1.51,-4.62,;1.16,-4.62,;1.16,-6.16,;2.49,-3.85,;3.82,-4.62,;3.82,-6.16,;5.16,-3.85,;5.16,-2.31,;3.82,-1.54,;2.49,-2.31,;1.16,-1.54,;1.16,-0,;-2.85,2.31,;-4.09,3.21,;-3.62,4.68,;-5.16,4.68,;-4.01,6.16,;-2.08,4.68,;-.54,4.68,;-1.68,6.16,;-1.6,3.21,)| Show InChI InChI=1S/C22H24BFN2O4/c1-13-15(23-29-21(2,3)22(4,5)30-23)10-8-12-17(13)26-19(27)14-9-7-11-16(24)18(14)25(6)20(26)28/h7-12H,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264146
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.08,,;1.75,-.77,;.42,,;-.92,-.77,;-.92,-2.31,;.42,-3.08,;1.75,-2.31,;3.08,-3.08,;3.08,-4.62,;1.75,-5.39,;4.42,-5.39,;5.75,-4.62,;7.09,-5.39,;7.09,-6.93,;8.42,-4.62,;8.42,-3.08,;7.09,-2.31,;5.75,-3.08,;4.42,-2.31,;4.42,-.77,;.42,1.54,;1.75,2.31,;1.75,3.85,;.42,4.62,;.42,6.16,;1.75,6.93,;-.92,6.93,;-.92,3.85,;-2.38,4.33,;-3.29,3.08,;-4.82,2.92,;-5.44,1.51,;-4.54,.27,;-3.01,.43,;-2.38,1.83,;-.92,2.31,;-6.93,1.11,;-7.33,-.37,;-8.42,.71,;-8.02,2.2,)| Show InChI InChI=1S/C31H25FN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264146
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.08,,;1.75,-.77,;.42,,;-.92,-.77,;-.92,-2.31,;.42,-3.08,;1.75,-2.31,;3.08,-3.08,;3.08,-4.62,;1.75,-5.39,;4.42,-5.39,;5.75,-4.62,;7.09,-5.39,;7.09,-6.93,;8.42,-4.62,;8.42,-3.08,;7.09,-2.31,;5.75,-3.08,;4.42,-2.31,;4.42,-.77,;.42,1.54,;1.75,2.31,;1.75,3.85,;.42,4.62,;.42,6.16,;1.75,6.93,;-.92,6.93,;-.92,3.85,;-2.38,4.33,;-3.29,3.08,;-4.82,2.92,;-5.44,1.51,;-4.54,.27,;-3.01,.43,;-2.38,1.83,;-.92,2.31,;-6.93,1.11,;-7.33,-.37,;-8.42,.71,;-8.02,2.2,)| Show InChI InChI=1S/C31H25FN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264137
(7-(2-Hydroxypropan-2-yl)-4-(3-(5-methoxy-1,3-dioxo...)Show SMILES COc1cccn2c1cc(=O)n(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(8.37,-7.31,;7.03,-6.54,;7.03,-5,;8.37,-4.23,;8.37,-2.69,;7.03,-1.92,;5.7,-2.69,;5.7,-4.23,;4.37,-5,;3.03,-4.23,;1.7,-5,;3.03,-2.69,;1.7,-1.93,;.37,-2.69,;-.97,-1.93,;-.97,-.38,;.37,.38,;1.7,-.38,;2.47,.95,;.37,1.92,;1.7,2.69,;1.7,4.23,;.37,5,;.37,6.54,;1.7,7.31,;-.97,7.31,;-.97,4.23,;-2.43,4.71,;-3.34,3.47,;-4.87,3.3,;-5.49,1.9,;-4.59,.65,;-3.06,.81,;-2.43,2.22,;-.97,2.69,;-7.03,1.9,;-8.37,1.13,;-6.64,.41,;-7.8,3.23,;4.37,-1.93,;4.37,-.38,)| Show InChI InChI=1S/C32H28N4O5/c1-17-19(7-5-8-24(17)36-27(37)16-25-26(41-4)9-6-14-35(25)31(36)39)20-12-13-22(30(33)38)29-28(20)21-11-10-18(32(2,3)40)15-23(21)34-29/h5-16,34,40H,1-4H3,(H2,33,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM264148
(4-Bromo-7-(2-hydroxypropan-2-yl)-8-methyl-9H-carba...)Show SMILES Cc1cc(c(C)c2[nH]c3c(ccc(Br)c3c12)C(N)=O)C(C)(C)O Show InChI InChI=1S/C18H19BrN2O2/c1-8-7-11(18(3,4)23)9(2)15-13(8)14-12(19)6-5-10(17(20)22)16(14)21-15/h5-7,21,23H,1-4H3,(H2,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic... |
US Patent US9714234 (2017)
BindingDB Entry DOI: 10.7270/Q2474CW0 |
More data for this
Ligand-Target Pair | |
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