Found 53 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 |
|---|
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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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 | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50182839
(CHEMBL205799 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C26H29N5O3S2/c1-18(32)30-11-13-31(14-12-30)25(34)21-6-4-5-19(15-21)17-35-23-16-27-26(36-23)28-24(33)20-7-9-22(10-8-20)29(2)3/h4-10,15-16H,11-14,17H2,1-3H3,(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 | 1.00E+3 | 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)) | BDBM50182865
(CHEMBL206424 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(Cl)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C26H28ClN5O3S2/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,10-13,16H2,1-3H3,(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 | 1.03E+3 | 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)) | BDBM50182835
(CHEMBL381107 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(c(c2)C(=O)N2CCN(CC2)C(C)=O)[N+]([O-])=O)s1 Show InChI InChI=1S/C26H28N6O5S2/c1-17(33)30-10-12-31(13-11-30)25(35)21-14-18(4-9-22(21)32(36)37)16-38-23-15-27-26(39-23)28-24(34)19-5-7-20(8-6-19)29(2)3/h4-9,14-15H,10-13,16H2,1-3H3,(H,27,28,34) | 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 | 1.09E+3 | 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)) | BDBM50182836
(CHEMBL204624 | N-(5-(3-(1-(2H-tetrazol-5-yl)pipera...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCN(CC2)c2nnn[nH]2)s1 Show InChI InChI=1S/C25H27N9O2S2/c1-32(2)20-8-6-18(7-9-20)22(35)27-25-26-15-21(38-25)37-16-17-4-3-5-19(14-17)23(36)33-10-12-34(13-11-33)24-28-30-31-29-24/h3-9,14-15H,10-13,16H2,1-2H3,(H,26,27,35)(H,28,29,30,31) | 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 | 1.44E+3 | 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)) | BDBM50182843
(CHEMBL379281 | N-(5-((4-(1-acetylpiperazine-4-carb...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2nc(cs2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C23H26N6O3S3/c1-15(30)28-8-10-29(11-9-28)22(32)18-13-33-19(25-18)14-34-20-12-24-23(35-20)26-21(31)16-4-6-17(7-5-16)27(2)3/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,26,31) | 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 | 1.60E+3 | 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)) | BDBM50182866
(CHEMBL208523 | N-(5-((5-(1-acetylpiperazine-4-carb...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(o2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C24H27N5O4S2/c1-16(30)28-10-12-29(13-11-28)23(32)20-9-8-19(33-20)15-34-21-14-25-24(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 | 1.60E+3 | 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)) | BDBM50182857
(CHEMBL204676 | N-(5-((4-(1-acetylpiperazine-4-carb...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2nc(co2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C23H26N6O4S2/c1-15(30)28-8-10-29(11-9-28)22(32)18-13-33-19(25-18)14-34-20-12-24-23(35-20)26-21(31)16-4-6-17(7-5-16)27(2)3/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,26,31) | 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 | 1.70E+3 | 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)) | 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 | 2.00E+3 | 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)) | BDBM50182828
(CHEMBL425235 | N-(5-(3-(1-acetyl-1,4-diazepane-4-c...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C27H31N5O3S2/c1-19(33)31-12-5-13-32(15-14-31)26(35)22-7-4-6-20(16-22)18-36-24-17-28-27(37-24)29-25(34)21-8-10-23(11-9-21)30(2)3/h4,6-11,16-17H,5,12-15,18H2,1-3H3,(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 | 2.10E+3 | 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)) | 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 | 2.20E+3 | 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)) | BDBM50182842
(CHEMBL205691 | N-(5-(3-(1-(2-hydroxyethyl)piperazi...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCN(CCO)CC2)s1 Show InChI InChI=1S/C26H31N5O3S2/c1-29(2)22-8-6-20(7-9-22)24(33)28-26-27-17-23(36-26)35-18-19-4-3-5-21(16-19)25(34)31-12-10-30(11-13-31)14-15-32/h3-9,16-17,32H,10-15,18H2,1-2H3,(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 | 2.20E+3 | 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)) | 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 | 2.40E+3 | 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)) | BDBM50182829
(CHEMBL427033 | N-(5-(4-acetamido-3-(1-acetylpipera...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2ccc(NC(C)=O)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C28H32N6O4S2/c1-18(35)30-24-10-5-20(15-23(24)27(38)34-13-11-33(12-14-34)19(2)36)17-39-25-16-29-28(40-25)31-26(37)21-6-8-22(9-7-21)32(3)4/h5-10,15-16H,11-14,17H2,1-4H3,(H,30,35)(H,29,31,37) | 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 | 2.42E+3 | 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)) | BDBM50182850
(CHEMBL205541 | N-(5-(3-(morpholine-4-carbonyl)benz...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCOCC2)s1 Show InChI InChI=1S/C24H26N4O3S2/c1-27(2)20-8-6-18(7-9-20)22(29)26-24-25-15-21(33-24)32-16-17-4-3-5-19(14-17)23(30)28-10-12-31-13-11-28/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,26,29) | 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 | 2.60E+3 | 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)) | BDBM50182862
((E)-N-(5-(4-(4-acetylpiperazin-1-yl)-4-oxobut-2-en...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SC\C=C\C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C22H27N5O3S2/c1-16(28)26-10-12-27(13-11-26)19(29)5-4-14-31-20-15-23-22(32-20)24-21(30)17-6-8-18(9-7-17)25(2)3/h4-9,15H,10-14H2,1-3H3,(H,23,24,30)/b5-4+ | 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 | 4.60E+3 | 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)) | BDBM50182840
((E)-N-(5-(3-(1-acetylpiperazine-4-carbonyl)styryl)...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(\C=C\c2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C27H29N5O3S/c1-19(33)31-13-15-32(16-14-31)26(35)22-6-4-5-20(17-22)7-12-24-18-28-27(36-24)29-25(34)21-8-10-23(11-9-21)30(2)3/h4-12,17-18H,13-16H2,1-3H3,(H,28,29,34)/b12-7+ | 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 | 5.00E+3 | 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)) | 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 | 5.70E+3 | 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)) | BDBM50182860
(CHEMBL207732 | N-(5-(3-(4-methylpiperidine-1-carbo...)Show SMILES CC1CCN(CC1)C(=O)c1cccc(CSc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)c1 Show InChI InChI=1S/C26H30N4O2S2/c1-18-11-13-30(14-12-18)25(32)21-6-4-5-19(15-21)17-33-23-16-27-26(34-23)28-24(31)20-7-9-22(10-8-20)29(2)3/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,27,28,31) | 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 | 1.12E+4 | 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)) | BDBM50182856
(CHEMBL205599 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(cc(c2)[N+]([O-])=O)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C26H28N6O5S2/c1-17(33)30-8-10-31(11-9-30)25(35)20-12-18(13-22(14-20)32(36)37)16-38-23-15-27-26(39-23)28-24(34)19-4-6-21(7-5-19)29(2)3/h4-7,12-15H,8-11,16H2,1-3H3,(H,27,28,34) | 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 | 1.30E+4 | 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 | 1.35E+4 | 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)) | BDBM50182841
(CHEMBL205585 | N-(5-(3-acetamido-5-(1-acetylpipera...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(NC(C)=O)cc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C28H32N6O4S2/c1-18(35)30-23-14-20(13-22(15-23)27(38)34-11-9-33(10-12-34)19(2)36)17-39-25-16-29-28(40-25)31-26(37)21-5-7-24(8-6-21)32(3)4/h5-8,13-16H,9-12,17H2,1-4H3,(H,30,35)(H,29,31,37) | 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 | 1.40E+4 | 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)) | BDBM50182845
(4-(dimethylamino)-N-[5-({[3-(dimethylcarbamoyl)phe...)Show SMILES CN(C)C(=O)c1cccc(CSc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)c1 Show InChI InChI=1S/C22H24N4O2S2/c1-25(2)18-10-8-16(9-11-18)20(27)24-22-23-13-19(30-22)29-14-15-6-5-7-17(12-15)21(28)26(3)4/h5-13H,14H2,1-4H3,(H,23,24,27) | 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 | 1.48E+4 | 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)) | BDBM50182827
(CHEMBL440046 | N-(5-(5-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(ccc2C)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C27H31N5O3S2/c1-18-5-6-21(26(35)32-13-11-31(12-14-32)19(2)33)15-22(18)17-36-24-16-28-27(37-24)29-25(34)20-7-9-23(10-8-20)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 | 1.50E+4 | 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)) | BDBM50182831
(CHEMBL205572 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(C(=O)N3CCN(CC3)C(C)=O)c2C)s1 Show InChI InChI=1S/C27H31N5O3S2/c1-18-21(6-5-7-23(18)26(35)32-14-12-31(13-15-32)19(2)33)17-36-24-16-28-27(37-24)29-25(34)20-8-10-22(11-9-20)30(3)4/h5-11,16H,12-15,17H2,1-4H3,(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 | 3.70E+4 | 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)) | BDBM50182837
(CHEMBL380075 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1nc(c(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1)-c1ccccc1 Show InChI InChI=1S/C32H33N5O3S2/c1-22(38)36-16-18-37(19-17-36)30(40)26-11-7-8-23(20-26)21-41-31-28(24-9-5-4-6-10-24)33-32(42-31)34-29(39)25-12-14-27(15-13-25)35(2)3/h4-15,20H,16-19,21H2,1-3H3,(H,33,34,39) | 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 | 3.90E+4 | 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)) | BDBM50182834
(CHEMBL208265 | N-(6-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1nc2ccc(SCc3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)cc2s1 Show InChI InChI=1S/C30H31N5O3S2/c1-20(36)34-13-15-35(16-14-34)29(38)23-6-4-5-21(17-23)19-39-25-11-12-26-27(18-25)40-30(31-26)32-28(37)22-7-9-24(10-8-22)33(2)3/h4-12,17-18H,13-16,19H2,1-3H3,(H,31,32,37) | 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 | >5.00E+4 | 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)) | BDBM50182826
(CHEMBL380082 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)[nH]1 Show InChI InChI=1S/C25H29N7O3S/c1-17(33)31-11-13-32(14-12-31)23(35)20-6-4-5-18(15-20)16-36-25-27-24(28-29-25)26-22(34)19-7-9-21(10-8-19)30(2)3/h4-10,15H,11-14,16H2,1-3H3,(H2,26,27,28,29,34) | 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 | >5.00E+4 | 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)) | BDBM50182830
(CHEMBL207830 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(s1)S(=O)Cc1cccc(c1)C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H29N5O4S2/c1-18(32)30-11-13-31(14-12-30)25(34)21-6-4-5-19(15-21)17-37(35)23-16-27-26(36-23)28-24(33)20-7-9-22(10-8-20)29(2)3/h4-10,15-16H,11-14,17H2,1-3H3,(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 | >5.00E+4 | 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)) | BDBM50182854
(CHEMBL205959 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C25H28N6O3S2/c1-17(32)30-11-13-31(14-12-30)23(34)20-6-4-5-18(15-20)16-35-25-28-27-24(36-25)26-22(33)19-7-9-21(10-8-19)29(2)3/h4-10,15H,11-14,16H2,1-3H3,(H,26,27,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | 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)) | BDBM50182847
(4-(dimethylamino)-N-{5-[({3-[(2-acetamidoethyl)car...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)NCCNC(C)=O)s1 Show InChI InChI=1S/C24H27N5O3S2/c1-16(30)25-11-12-26-22(31)19-6-4-5-17(13-19)15-33-21-14-27-24(34-21)28-23(32)18-7-9-20(10-8-18)29(2)3/h4-10,13-14H,11-12,15H2,1-3H3,(H,25,30)(H,26,31)(H,27,28,32) | 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 | >5.00E+4 | 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)) | BDBM50182858
(CHEMBL204515 | N-(4-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1nccc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)n1 Show InChI InChI=1S/C27H30N6O3S/c1-19(34)32-13-15-33(16-14-32)26(36)22-6-4-5-20(17-22)18-37-24-11-12-28-27(29-24)30-25(35)21-7-9-23(10-8-21)31(2)3/h4-12,17H,13-16,18H2,1-3H3,(H,28,29,30,35) | 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 | >5.00E+4 | 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)) | BDBM50182838
(CHEMBL208165 | N-(5-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1nc(C)c(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C27H31N5O3S2/c1-18-26(37-27(28-18)29-24(34)21-8-10-23(11-9-21)30(3)4)36-17-20-6-5-7-22(16-20)25(35)32-14-12-31(13-15-32)19(2)33/h5-11,16H,12-15,17H2,1-4H3,(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 | >5.00E+4 | 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)) | BDBM50182824
(4-(dimethylamino)-N-[5-({[3-(phenylcarbamoyl)pheny...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)Nc2ccccc2)s1 Show InChI InChI=1S/C26H24N4O2S2/c1-30(2)22-13-11-19(12-14-22)24(31)29-26-27-16-23(34-26)33-17-18-7-6-8-20(15-18)25(32)28-21-9-4-3-5-10-21/h3-16H,17H2,1-2H3,(H,28,32)(H,27,29,31) | 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 | >5.00E+4 | 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)) | BDBM50182868
(CHEMBL208254 | N-(4-(3-(1-acetylpiperazine-4-carbo...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncnc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)n1 Show InChI InChI=1S/C26H29N7O3S/c1-18(34)32-11-13-33(14-12-32)24(36)21-6-4-5-19(15-21)16-37-26-28-17-27-25(30-26)29-23(35)20-7-9-22(10-8-20)31(2)3/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28,29,30,35) | 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 | >5.00E+4 | 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 | |
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