Found 31 hits of Enzyme Inhibition Constant Data 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 |
|---|
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50059889
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1 | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424547
(CHEMBL2312144)Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)c1)C#N Show InChI InChI=1S/C25H27N5O2/c1-29-10-12-30(13-11-29)22-6-5-20(16-24(22)32-3)28-25-15-19(8-9-27-25)21-14-18(17-26)4-7-23(21)31-2/h4-9,14-16H,10-13H2,1-3H3,(H,27,28) | PDB
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UniChem
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424535
(CHEMBL2312145)Show SMILES COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)c1 Show InChI InChI=1S/C24H27ClN4O2/c1-28-10-12-29(13-11-28)21-6-5-19(16-23(21)31-3)27-24-14-17(8-9-26-24)20-15-18(25)4-7-22(20)30-2/h4-9,14-16H,10-13H2,1-3H3,(H,26,27) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424536
(CHEMBL2312143)Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)c1)C#N Show InChI InChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)21-6-4-20(5-7-21)27-24-16-19(9-10-26-24)22-15-18(17-25)3-8-23(22)30-2/h3-10,15-16H,11-14H2,1-2H3,(H,26,27) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424538
(CHEMBL2312140)Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29) | PDB
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| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424537
(CHEMBL2312142)Show SMILES COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H25N5O/c1-28-10-12-29(13-11-28)22-7-6-21(16-23(22)30-2)27-24-15-20(8-9-26-24)19-5-3-4-18(14-19)17-25/h3-9,14-16H,10-13H2,1-2H3,(H,26,27) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424533
(CHEMBL2312148)Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C#N Show InChI InChI=1S/C24H24N4O3/c1-29-22-6-3-17(16-25)13-20(22)18-7-8-26-24(14-18)27-19-4-5-21(23(15-19)30-2)28-9-11-31-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,26,27) | PDB
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Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424532
(CHEMBL2312154)Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)c1)C#N Show InChI InChI=1S/C26H28FN5O/c1-31(2)21-9-12-32(13-10-21)24-6-5-20(16-23(24)27)30-26-15-19(8-11-29-26)22-14-18(17-28)4-7-25(22)33-3/h4-8,11,14-16,21H,9-10,12-13H2,1-3H3,(H,29,30) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424534
(CHEMBL2312147)Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1)C#N Show InChI InChI=1S/C23H22N4O2/c1-28-22-7-2-17(16-24)14-21(22)18-8-9-25-23(15-18)26-19-3-5-20(6-4-19)27-10-12-29-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,25,26) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424542
(CHEMBL2312155)Show SMILES COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(CCN3CCOCC3)cc2)c1 Show InChI InChI=1S/C24H26ClN3O2/c1-29-23-7-4-20(25)17-22(23)19-8-10-26-24(16-19)27-21-5-2-18(3-6-21)9-11-28-12-14-30-15-13-28/h2-8,10,16-17H,9,11-15H2,1H3,(H,26,27) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50059889
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1 | PDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424539
(CHEMBL2312150)Show SMILES COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1 Show InChI InChI=1S/C23H24ClN3O3/c1-28-21-6-3-17(24)14-19(21)16-7-8-25-23(13-16)26-18-4-5-20(22(15-18)29-2)27-9-11-30-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,25,26) | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424540
(CHEMBL2312146)Show SMILES COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCOCC1 Show InChI InChI=1S/C23H22N4O2/c1-28-22-15-20(5-6-21(22)27-9-11-29-12-10-27)26-23-14-19(7-8-25-23)18-4-2-3-17(13-18)16-24/h2-8,13-15H,9-12H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424543
(CHEMBL2312153)Show SMILES COc1cc(cc(c1)-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C#N Show InChI InChI=1S/C24H24N4O3/c1-29-21-12-17(16-25)11-19(13-21)18-5-6-26-24(14-18)27-20-3-4-22(23(15-20)30-2)28-7-9-31-10-8-28/h3-6,11-15H,7-10H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424538
(CHEMBL2312140)Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424545
(CHEMBL2312151)Show SMILES COc1ccc(F)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1 Show InChI InChI=1S/C23H24FN3O3/c1-28-21-6-3-17(24)14-19(21)16-7-8-25-23(13-16)26-18-4-5-20(22(15-18)29-2)27-9-11-30-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
B.MOAD
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424544
(CHEMBL2312152)Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O3/c1-31-21-6-3-17(24(25,26)27)14-19(21)16-7-8-28-23(13-16)29-18-4-5-20(22(15-18)32-2)30-9-11-33-12-10-30/h3-8,13-15H,9-12H2,1-2H3,(H,28,29) | PDB
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424541
(CHEMBL2312141)Show SMILES COc1cc(Nc2cc(ccn2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C25H27N5O/c1-29-12-14-30(15-13-29)23-7-6-22(18-24(23)31-2)28-25-17-21(9-11-27-25)20-5-3-4-19(16-20)8-10-26/h3-7,9,11,16-18H,8,12-15H2,1-2H3,(H,27,28) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424546
(CHEMBL2312149)Show SMILES COc1cc(Nc2cc(ccn2)-c2ccc(cc2)C#N)ccc1N1CCOCC1 Show InChI InChI=1S/C23H22N4O2/c1-28-22-15-20(6-7-21(22)27-10-12-29-13-11-27)26-23-14-19(8-9-25-23)18-4-2-17(16-24)3-5-18/h2-9,14-15H,10-13H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50424537
(CHEMBL2312142)Show SMILES COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H25N5O/c1-28-10-12-29(13-11-28)22-7-6-21(16-23(22)30-2)27-24-15-20(8-9-26-24)19-5-3-4-18(14-19)17-25/h3-9,14-16H,10-13H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424532
(CHEMBL2312154)Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)c1)C#N Show InChI InChI=1S/C26H28FN5O/c1-31(2)21-9-12-32(13-10-21)24-6-5-20(16-23(24)27)30-26-15-19(8-11-29-26)22-14-18(17-28)4-7-25(22)33-3/h4-8,11,14-16,21H,9-10,12-13H2,1-3H3,(H,29,30) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50424533
(CHEMBL2312148)Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C#N Show InChI InChI=1S/C24H24N4O3/c1-29-22-6-3-17(16-25)13-20(22)18-7-8-26-24(14-18)27-19-4-5-21(23(15-19)30-2)28-9-11-31-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424533
(CHEMBL2312148)Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C#N Show InChI InChI=1S/C24H24N4O3/c1-29-22-6-3-17(16-25)13-20(22)18-7-8-26-24(14-18)27-19-4-5-21(23(15-19)30-2)28-9-11-31-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50424540
(CHEMBL2312146)Show SMILES COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCOCC1 Show InChI InChI=1S/C23H22N4O2/c1-28-22-15-20(5-6-21(22)27-9-11-29-12-10-27)26-23-14-19(7-8-25-23)18-4-2-3-17(13-18)16-24/h2-8,13-15H,9-12H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424535
(CHEMBL2312145)Show SMILES COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)c1 Show InChI InChI=1S/C24H27ClN4O2/c1-28-10-12-29(13-11-28)21-6-5-19(16-23(21)31-3)27-24-14-17(8-9-26-24)20-15-18(25)4-7-22(20)30-2/h4-9,14-16H,10-13H2,1-3H3,(H,26,27) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50424539
(CHEMBL2312150)Show SMILES COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1 Show InChI InChI=1S/C23H24ClN3O3/c1-28-21-6-3-17(24)14-19(21)16-7-8-25-23(13-16)26-18-4-5-20(22(15-18)29-2)27-9-11-30-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424534
(CHEMBL2312147)Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1)C#N Show InChI InChI=1S/C23H22N4O2/c1-28-22-7-2-17(16-24)14-21(22)18-8-9-25-23(15-18)26-19-3-5-20(6-4-19)27-10-12-29-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424537
(CHEMBL2312142)Show SMILES COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H25N5O/c1-28-10-12-29(13-11-28)22-7-6-21(16-23(22)30-2)27-24-15-20(8-9-26-24)19-5-3-4-18(14-19)17-25/h3-9,14-16H,10-13H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424536
(CHEMBL2312143)Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)c1)C#N Show InChI InChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)21-6-4-20(5-7-21)27-24-16-19(9-10-26-24)22-15-18(17-25)3-8-23(22)30-2/h3-10,15-16H,11-14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424538
(CHEMBL2312140)Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Competitive binding affinity to TNIK (unknown origin) in presence of ATP |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50424541
(CHEMBL2312141)Show SMILES COc1cc(Nc2cc(ccn2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C25H27N5O/c1-29-12-14-30(15-13-29)23-7-6-22(18-24(23)31-2)28-25-17-21(9-11-27-25)20-5-3-4-19(16-20)8-10-26/h3-7,9,11,16-18H,8,12-15H2,1-2H3,(H,27,28) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Competitive binding affinity to TNIK (unknown origin) in presence of ATP |
Bioorg Med Chem Lett 23: 569-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R |
More data for this
Ligand-Target Pair | |
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