Found 115 hits with Last Name = 'o''day' and Initial = 'kd' 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 ITK/TSK
(Homo sapiens (Human)) | BDBM50186457
(1-(4-(5-(2-(4,6-dimethylpyridin-2-ylamino)thiazol-...)Show SMILES COc1cc(C)c(Sc2cnc(Nc3cc(C)cc(C)n3)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H29N5O3S2/c1-15-10-17(3)27-22(11-15)28-25-26-14-23(35-25)34-21-13-19(20(33-5)12-16(21)2)24(32)30-8-6-29(7-9-30)18(4)31/h10-14H,6-9H2,1-5H3,(H,26,27,28) | PDB MMDB
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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186487
(CHEMBL209881 | N-(5-(4-methoxy-2-methyl-5-(morphol...)Show SMILES CNCc1ccc([nH]1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCOCC3)c(OC)cc2C)s1 Show InChI InChI=1S/C23H27N5O4S2/c1-14-10-18(31-3)16(22(30)28-6-8-32-9-7-28)11-19(14)33-20-13-25-23(34-20)27-21(29)17-5-4-15(26-17)12-24-2/h4-5,10-11,13,24,26H,6-9,12H2,1-3H3,(H,25,27,29) | PDB MMDB
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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186484
(1-(4-(5-(2-(4,6-dimethylpyridin-2-ylamino)thiazol-...)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cc(C)cc(C)n3)s2)ccc1O Show InChI InChI=1S/C23H25N5O3S2/c1-14-10-15(2)25-20(11-14)26-23-24-13-21(33-23)32-17-4-5-19(30)18(12-17)22(31)28-8-6-27(7-9-28)16(3)29/h4-5,10-13,30H,6-9H2,1-3H3,(H,24,25,26) | PDB MMDB
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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186478
(1-(4-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylt...)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O Show InChI InChI=1S/C21H20BrN5O3S2/c1-13(28)26-7-9-27(10-8-26)20(30)15-11-14(5-6-16(15)29)31-19-12-23-21(32-19)25-18-4-2-3-17(22)24-18/h2-6,11-12,29H,7-10H2,1H3,(H,23,24,25) | PDB MMDB
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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186459
(CHEMBL211842 | N-(5-(5-(1-acetylpiperazine-4-carbo...)Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C22H26N4O4S2/c1-13-10-17(30-3)16(21(29)26-8-6-25(7-9-26)14(2)27)11-18(13)31-19-12-23-22(32-19)24-20(28)15-4-5-15/h10-12,15H,4-9H2,1-3H3,(H,23,24,28) | PDB MMDB
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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186456
(CHEMBL211355 | N-(5-(5-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(O)cc2C)s1 Show InChI InChI=1S/C26H29N5O4S2/c1-16-13-21(33)20(25(35)31-11-9-30(10-12-31)17(2)32)14-22(16)36-23-15-27-26(37-23)28-24(34)18-5-7-19(8-6-18)29(3)4/h5-8,13-15,33H,9-12H2,1-4H3,(H,27,28,34) | PDB MMDB
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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186461
(CHEMBL209163 | N-(5-(5-(1-acetylpiperazine-4-carbo...)Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc[nH]3)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H25N5O4S2/c1-14-11-18(32-3)16(22(31)28-9-7-27(8-10-28)15(2)29)12-19(14)33-20-13-25-23(34-20)26-21(30)17-5-4-6-24-17/h4-6,11-13,24H,7-10H2,1-3H3,(H,25,26,30) | PDB MMDB
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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186474
(1-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio...)Show SMILES OC(=O)C1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O Show InChI InChI=1S/C21H19BrN4O4S2/c22-16-2-1-3-17(24-16)25-21-23-11-18(32-21)31-13-4-5-15(27)14(10-13)19(28)26-8-6-12(7-9-26)20(29)30/h1-5,10-12,27H,6-9H2,(H,29,30)(H,23,24,25) | PDB MMDB
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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186480
(CHEMBL379114 | N-(5-(5-(1-acetylpiperazine-4-carbo...)Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H31N5O4S2/c1-17-14-22(36-5)21(26(35)32-12-10-31(11-13-32)18(2)33)15-23(17)37-24-16-28-27(38-24)29-25(34)19-6-8-20(9-7-19)30(3)4/h6-9,14-16H,10-13H2,1-5H3,(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186479
(CHEMBL208901 | N-(5-(5-(1-(2-(dimethylamino)acetyl...)Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)CN(C)C Show InChI InChI=1S/C24H31N5O4S2/c1-15-11-18(33-4)17(23(32)29-9-7-28(8-10-29)20(30)14-27(2)3)12-19(15)34-21-13-25-24(35-21)26-22(31)16-5-6-16/h11-13,16H,5-10,14H2,1-4H3,(H,25,26,31) | PDB MMDB
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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186460
(CHEMBL209148 | N-(5-(5-(1-acetylpiperazine-4-carbo...)Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186470
(CHEMBL211291 | N-(5-(5-(1-acetylpiperazine-4-carbo...)Show SMILES COCc1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(OC)cc2C)s1 Show InChI InChI=1S/C27H30N4O5S2/c1-17-13-22(36-4)21(26(34)31-11-9-30(10-12-31)18(2)32)14-23(17)37-24-15-28-27(38-24)29-25(33)20-7-5-19(6-8-20)16-35-3/h5-8,13-15H,9-12,16H2,1-4H3,(H,28,29,33) | PDB MMDB
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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186496
(CHEMBL210985 | N-(5-(5-(1-acetylpiperazine-4-carbo...)Show SMILES CCNCc1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(OC)cc2C)s1 Show InChI InChI=1S/C28H33N5O4S2/c1-5-29-16-20-6-8-21(9-7-20)26(35)31-28-30-17-25(39-28)38-24-15-22(23(37-4)14-18(24)2)27(36)33-12-10-32(11-13-33)19(3)34/h6-9,14-15,17,29H,5,10-13,16H2,1-4H3,(H,30,31,35) | PDB MMDB
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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186472
(CHEMBL209004 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(O)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C25H27N5O4S2/c1-16(31)29-10-12-30(13-11-29)24(34)20-14-19(8-9-21(20)32)35-22-15-26-25(36-22)27-23(33)17-4-6-18(7-5-17)28(2)3/h4-9,14-15,32H,10-13H2,1-3H3,(H,26,27,33) | PDB MMDB
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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186466
(1-(4-(2-hydroxy-5-(2-(pyridin-2-ylamino)thiazol-5-...)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccc1O Show InChI InChI=1S/C21H21N5O3S2/c1-14(27)25-8-10-26(11-9-25)20(29)16-12-15(5-6-17(16)28)30-19-13-23-21(31-19)24-18-4-2-3-7-22-18/h2-7,12-13,28H,8-11H2,1H3,(H,22,23,24) | PDB MMDB
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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186467
(CHEMBL210528 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES COc1ccc(Sc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H29N5O4S2/c1-17(32)30-11-13-31(14-12-30)25(34)21-15-20(9-10-22(21)35-4)36-23-16-27-26(37-23)28-24(33)18-5-7-19(8-6-18)29(2)3/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,33) | PDB MMDB
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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186488
(1-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio...)Show SMILES OC(=O)C1CCCN(C1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O Show InChI InChI=1S/C21H19BrN4O4S2/c22-16-4-1-5-17(24-16)25-21-23-10-18(32-21)31-13-6-7-15(27)14(9-13)19(28)26-8-2-3-12(11-26)20(29)30/h1,4-7,9-10,12,27H,2-3,8,11H2,(H,29,30)(H,23,24,25) | PDB MMDB
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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182855
(CHEMBL381296 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CC(NCc1ccc([nH]1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C Show InChI InChI=1S/C31H42N6O3S2/c1-19-14-23(15-25(20(19)2)29(40)37-12-10-36(11-13-37)22(4)38)18-41-27-17-33-30(42-27)35-28(39)26-9-8-24(34-26)16-32-21(3)31(5,6)7/h8-9,14-15,17,21,32,34H,10-13,16,18H2,1-7H3,(H,33,35,39) | PDB MMDB
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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182863
(CHEMBL207329 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc(cc3)N3CCNCC3)s2)cc(C)c1C Show InChI InChI=1S/C30H36N6O3S2/c1-20-16-23(17-26(21(20)2)29(39)36-14-12-34(13-15-36)22(3)37)19-40-27-18-32-30(41-27)33-28(38)24-4-6-25(7-5-24)35-10-8-31-9-11-35/h4-7,16-18,31H,8-15,19H2,1-3H3,(H,32,33,38) | PDB MMDB
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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186477
(CHEMBL380058 | N-(5-(5-(1-acetylpiperazine-4-carbo...)Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(OC(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C28H32N4O5S2/c1-17(2)37-21-8-6-20(7-9-21)26(34)30-28-29-16-25(39-28)38-24-15-22(23(36-5)14-18(24)3)27(35)32-12-10-31(11-13-32)19(4)33/h6-9,14-17H,10-13H2,1-5H3,(H,29,30,34) | PDB MMDB
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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186468
(CHEMBL206905 | N-(5-(5-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(C)cc2C)s1 Show InChI InChI=1S/C27H31N5O3S2/c1-17-14-18(2)23(15-22(17)26(35)32-12-10-31(11-13-32)19(3)33)36-24-16-28-27(37-24)29-25(34)20-6-8-21(9-7-20)30(4)5/h6-9,14-16H,10-13H2,1-5H3,(H,28,29,34) | PDB MMDB
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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186486
(1-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio...)Show SMILES CS(=O)(=O)NC(=O)C1CCCN(C1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O Show InChI InChI=1S/C22H22BrN5O5S3/c1-36(32,33)27-20(30)13-4-3-9-28(12-13)21(31)15-10-14(7-8-16(15)29)34-19-11-24-22(35-19)26-18-6-2-5-17(23)25-18/h2,5-8,10-11,13,29H,3-4,9,12H2,1H3,(H,27,30)(H,24,25,26) | PDB MMDB
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 | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182833
(CHEMBL382362 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C Show InChI InChI=1S/C33H43N5O3S2/c1-21-16-26(17-28(22(21)2)31(41)38-14-12-37(13-15-38)24(4)39)20-42-29-19-35-32(43-29)36-30(40)27-10-8-25(9-11-27)18-34-23(3)33(5,6)7/h8-11,16-17,19,23,34H,12-15,18,20H2,1-7H3,(H,35,36,40) | PDB MMDB
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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186495
(CHEMBL210243 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(N)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C25H28N6O3S2/c1-16(32)30-10-12-31(13-11-30)24(34)20-14-19(8-9-21(20)26)35-22-15-27-25(36-22)28-23(33)17-4-6-18(7-5-17)29(2)3/h4-9,14-15H,10-13,26H2,1-3H3,(H,27,28,33) | PDB MMDB
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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182825
(CHEMBL383129 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CC(C)C(CO)NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C32H41N5O4S2/c1-20(2)28(18-38)33-16-24-6-8-26(9-7-24)30(40)35-32-34-17-29(43-32)42-19-25-14-21(3)22(4)27(15-25)31(41)37-12-10-36(11-13-37)23(5)39/h6-9,14-15,17,20,28,33,38H,10-13,16,18-19H2,1-5H3,(H,34,35,40) | PDB MMDB
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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182833
(CHEMBL382362 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C Show InChI InChI=1S/C33H43N5O3S2/c1-21-16-26(17-28(22(21)2)31(41)38-14-12-37(13-15-38)24(4)39)20-42-29-19-35-32(43-29)36-30(40)27-10-8-25(9-11-27)18-34-23(3)33(5,6)7/h8-11,16-17,19,23,34H,12-15,18,20H2,1-7H3,(H,35,36,40) | PDB MMDB
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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182846
(CHEMBL208255 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc[nH]3)s2)cc(C)c1C Show InChI InChI=1S/C24H27N5O3S2/c1-15-11-18(12-19(16(15)2)23(32)29-9-7-28(8-10-29)17(3)30)14-33-21-13-26-24(34-21)27-22(31)20-5-4-6-25-20/h4-6,11-13,25H,7-10,14H2,1-3H3,(H,26,27,31) | PDB MMDB
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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186498
(CHEMBL209400 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C27H31N5O3S2/c1-17-14-22(15-23(18(17)2)26(35)32-12-10-31(11-13-32)19(3)33)36-24-16-28-27(37-24)29-25(34)20-6-8-21(9-7-20)30(4)5/h6-9,14-16H,10-13H2,1-5H3,(H,28,29,34) | PDB MMDB
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 | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186497
(CHEMBL211136 | N-(5-(4-acetamido-3-(1-acetylpipera...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(NC(C)=O)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C27H30N6O4S2/c1-17(34)29-23-10-9-21(15-22(23)26(37)33-13-11-32(12-14-33)18(2)35)38-24-16-28-27(39-24)30-25(36)19-5-7-20(8-6-19)31(3)4/h5-10,15-16H,11-14H2,1-4H3,(H,29,34)(H,28,30,36) | PDB MMDB
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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186476
(CHEMBL210932 | N-(5-(5-(1-ethylpiperazine-4-carbon...)Show SMILES CCN1CCN(CC1)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1OC Show InChI InChI=1S/C22H28N4O3S2/c1-4-25-7-9-26(10-8-25)21(28)16-12-18(14(2)11-17(16)29-3)30-19-13-23-22(31-19)24-20(27)15-5-6-15/h11-13,15H,4-10H2,1-3H3,(H,23,24,27) | PDB MMDB
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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182844
(CHEMBL378555 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)cc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C27H31N5O3S2/c1-18-13-20(15-22(14-18)26(35)32-11-9-31(10-12-32)19(2)33)17-36-24-16-28-27(37-24)29-25(34)21-5-7-23(8-6-21)30(3)4/h5-8,13-16H,9-12,17H2,1-4H3,(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186463
(CHEMBL209009 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C26H29N5O3S2/c1-17-5-10-21(15-22(17)25(34)31-13-11-30(12-14-31)18(2)32)35-23-16-27-26(36-23)28-24(33)19-6-8-20(9-7-19)29(3)4/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,33) | PDB MMDB
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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182852
(CHEMBL381367 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C28H33N5O3S2/c1-18-14-21(15-24(19(18)2)27(36)33-12-10-32(11-13-33)20(3)34)17-37-25-16-29-28(38-25)30-26(35)22-6-8-23(9-7-22)31(4)5/h6-9,14-16H,10-13,17H2,1-5H3,(H,29,30,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186469
(2-((5-(5-(1-acetylpiperazine-4-carbonyl)-4-methoxy...)Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)C3CC3C(O)=O)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H26N4O6S2/c1-12-8-17(33-3)16(21(30)27-6-4-26(5-7-27)13(2)28)10-18(12)34-19-11-24-23(35-19)25-20(29)14-9-15(14)22(31)32/h8,10-11,14-15H,4-7,9H2,1-3H3,(H,31,32)(H,24,25,29) | PDB MMDB
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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182849
(CHEMBL204418 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc(CO)cc3)s2)cc(C)c1C Show InChI InChI=1S/C27H30N4O4S2/c1-17-12-21(13-23(18(17)2)26(35)31-10-8-30(9-11-31)19(3)33)16-36-24-14-28-27(37-24)29-25(34)22-6-4-20(15-32)5-7-22/h4-7,12-14,32H,8-11,15-16H2,1-3H3,(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182859
(CHEMBL207331 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES COc1cc(CSc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc(c1)C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H31N5O4S2/c1-18(33)31-9-11-32(12-10-31)26(35)21-13-19(14-23(15-21)36-4)17-37-24-16-28-27(38-24)29-25(34)20-5-7-22(8-6-20)30(2)3/h5-8,13-16H,9-12,17H2,1-4H3,(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182851
(CHEMBL383767 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES COc1ccc(CSc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H31N5O4S2/c1-18(33)31-11-13-32(14-12-31)26(35)22-15-19(5-10-23(22)36-4)17-37-24-16-28-27(38-24)29-25(34)20-6-8-21(9-7-20)30(2)3/h5-10,15-16H,11-14,17H2,1-4H3,(H,28,29,34) | PDB MMDB
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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186464
(2-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio...)Show SMILES CN(CC(O)=O)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O Show InChI InChI=1S/C18H15BrN4O4S2/c1-23(9-15(25)26)17(27)11-7-10(5-6-12(11)24)28-16-8-20-18(29-16)22-14-4-2-3-13(19)21-14/h2-8,24H,9H2,1H3,(H,25,26)(H,20,21,22) | PDB MMDB
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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182867
(CHEMBL205688 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C27H31N5O3S2/c1-18-5-6-20(15-23(18)26(35)32-13-11-31(12-14-32)19(2)33)17-36-24-16-28-27(37-24)29-25(34)21-7-9-22(10-8-21)30(3)4/h5-10,15-16H,11-14,17H2,1-4H3,(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182864
(CHEMBL205861 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(N)cc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C26H30N6O3S2/c1-17(33)31-8-10-32(11-9-31)25(35)20-12-18(13-21(27)14-20)16-36-23-15-28-26(37-23)29-24(34)19-4-6-22(7-5-19)30(2)3/h4-7,12-15H,8-11,16,27H2,1-3H3,(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186492
(CHEMBL373513 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(Cl)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C25H26ClN5O3S2/c1-16(32)30-10-12-31(13-11-30)24(34)20-14-19(8-9-21(20)26)35-22-15-27-25(36-22)28-23(33)17-4-6-18(7-5-17)29(2)3/h4-9,14-15H,10-13H2,1-3H3,(H,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182861
(CHEMBL205641 | N-(5-((5-(1-acetylpiperazine-4-carb...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(s2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C24H27N5O3S3/c1-16(30)28-10-12-29(13-11-28)23(32)20-9-8-19(34-20)15-33-21-14-25-24(35-21)26-22(31)17-4-6-18(7-5-17)27(2)3/h4-9,14H,10-13,15H2,1-3H3,(H,25,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182833
(CHEMBL382362 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C Show InChI InChI=1S/C33H43N5O3S2/c1-21-16-26(17-28(22(21)2)31(41)38-14-12-37(13-15-38)24(4)39)20-42-29-19-35-32(43-29)36-30(40)27-10-8-25(9-11-27)18-34-23(3)33(5,6)7/h8-11,16-17,19,23,34H,12-15,18,20H2,1-7H3,(H,35,36,40) | PDB MMDB
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 | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of anti-CD3 antibody-induced IL2 production in human PBMC |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186482
(1-(4-(3-(2-(pyridin-2-ylamino)thiazol-5-ylthio)ben...)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(Sc2cnc(Nc3ccccn3)s2)c1 Show InChI InChI=1S/C21H21N5O2S2/c1-15(27)25-9-11-26(12-10-25)20(28)16-5-4-6-17(13-16)29-19-14-23-21(30-19)24-18-7-2-3-8-22-18/h2-8,13-14H,9-12H2,1H3,(H,22,23,24) | PDB MMDB
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 | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182833
(CHEMBL382362 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C Show InChI InChI=1S/C33H43N5O3S2/c1-21-16-26(17-28(22(21)2)31(41)38-14-12-37(13-15-38)24(4)39)20-42-29-19-35-32(43-29)36-30(40)27-10-8-25(9-11-27)18-34-23(3)33(5,6)7/h8-11,16-17,19,23,34H,12-15,18,20H2,1-7H3,(H,35,36,40) | PDB MMDB
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 | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of anti-CD3 antibody-induced IL2 production in human jurkat T cells |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182855
(CHEMBL381296 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CC(NCc1ccc([nH]1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C Show InChI InChI=1S/C31H42N6O3S2/c1-19-14-23(15-25(20(19)2)29(40)37-12-10-36(11-13-37)22(4)38)18-41-27-17-33-30(42-27)35-28(39)26-9-8-24(34-26)16-32-21(3)31(5,6)7/h8-9,14-15,17,21,32,34H,10-13,16,18H2,1-7H3,(H,33,35,39) | PDB MMDB
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 | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of anti-CD3 antibody-induced IL2 production in human jurkat T cells |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182853
(CHEMBL207272 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(Cl)cc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C26H28ClN5O3S2/c1-17(33)31-8-10-32(11-9-31)25(35)20-12-18(13-21(27)14-20)16-36-23-15-28-26(37-23)29-24(34)19-4-6-22(7-5-19)30(2)3/h4-7,12-15H,8-11,16H2,1-3H3,(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182848
(CHEMBL205638 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(N)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C26H30N6O3S2/c1-17(33)31-10-12-32(13-11-31)25(35)21-14-18(4-9-22(21)27)16-36-23-15-28-26(37-23)29-24(34)19-5-7-20(8-6-19)30(2)3/h4-9,14-15H,10-13,16,27H2,1-3H3,(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50186458
(CHEMBL273966 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Cc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C26H29N5O3S/c1-18(32)30-11-13-31(14-12-30)25(34)21-6-4-5-19(15-21)16-23-17-27-26(35-23)28-24(33)20-7-9-22(10-8-20)29(2)3/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 3706-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182832
(CHEMBL383455 | N-(5-(3-(1-(pyrimidin-2-yl)piperazi...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCN(CC2)c2ncccn2)s1 Show InChI InChI=1S/C28H29N7O2S2/c1-33(2)23-9-7-21(8-10-23)25(36)32-28-31-18-24(39-28)38-19-20-5-3-6-22(17-20)26(37)34-13-15-35(16-14-34)27-29-11-4-12-30-27/h3-12,17-18H,13-16,19H2,1-2H3,(H,31,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Itk |
Bioorg Med Chem Lett 16: 2411-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR |
More data for this Ligand-Target Pair | |