Found 95 hits with Last Name = 'de la torre' and Initial = 'k' 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)) | BDBM50015266
(CHEMBL3263053)Show SMILES CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r| Show InChI InChI=1S/C25H26N8O/c1-32(2)11-10-23(17-6-4-3-5-7-17)33-16-20(15-28-33)29-25(34)24-21-9-8-18(12-22(21)30-31-24)19-13-26-27-14-19/h3-9,12-16,23H,10-11H2,1-2H3,(H,26,27)(H,29,34)(H,30,31)/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059194
(CHEMBL3393337)Show SMILES N#Cc1ccnc(Nc2cc(cc(OC3CCC3)n2)C2CCN(CC2)C2COC2)c1 Show InChI InChI=1S/C23H27N5O2/c24-13-16-4-7-25-21(10-16)26-22-11-18(12-23(27-22)30-20-2-1-3-20)17-5-8-28(9-6-17)19-14-29-15-19/h4,7,10-12,17,19-20H,1-3,5-6,8-9,14-15H2,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015268
(CHEMBL3263055)Show SMILES CC(C)(O)[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r| Show InChI InChI=1S/C24H23N7O2/c1-24(2,33)22(15-6-4-3-5-7-15)31-14-18(13-27-31)28-23(32)21-19-9-8-16(10-20(19)29-30-21)17-11-25-26-12-17/h3-14,22,33H,1-2H3,(H,25,26)(H,28,32)(H,29,30)/t22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059190
(CHEMBL3393333)Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1 Show InChI InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| <0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015263
(CHEMBL3263050)Show SMILES OC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r| Show InChI InChI=1S/C22H19N7O2/c30-13-20(14-4-2-1-3-5-14)29-12-17(11-25-29)26-22(31)21-18-7-6-15(8-19(18)27-28-21)16-9-23-24-10-16/h1-12,20,30H,13H2,(H,23,24)(H,26,31)(H,27,28)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059191
(CHEMBL3393334)Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CN(C1)C1COC1 Show InChI InChI=1S/C21H22F2N6O/c22-21(23)2-4-28(13-21)20-7-15(16-9-29(10-16)17-11-30-12-17)6-19(27-20)26-18-5-14(8-24)1-3-25-18/h1,3,5-7,16-17H,2,4,9-13H2,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015271
(CHEMBL3263036)Show SMILES O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C22H16N8O/c23-8-14-2-1-3-15(6-14)12-30-13-18(11-26-30)27-22(31)21-19-5-4-16(7-20(19)28-29-21)17-9-24-25-10-17/h1-7,9-11,13H,12H2,(H,24,25)(H,27,31)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015267
(CHEMBL3263054)Show SMILES CC(C)(O)[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r| Show InChI InChI=1S/C24H23N7O2/c1-24(2,33)22(15-6-4-3-5-7-15)31-14-18(13-27-31)28-23(32)21-19-9-8-16(10-20(19)29-30-21)17-11-25-26-12-17/h3-14,22,33H,1-2H3,(H,25,26)(H,28,32)(H,29,30)/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059201
(CHEMBL3393329)Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCOCC1 Show InChI InChI=1S/C20H21F2N5O/c21-20(22)4-6-27(13-20)19-11-16(15-2-7-28-8-3-15)10-18(26-19)25-17-9-14(12-23)1-5-24-17/h1,5,9-11,15H,2-4,6-8,13H2,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015265
(CHEMBL3263052)Show SMILES CN(C)CC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r| Show InChI InChI=1S/C25H26N8O/c1-32(2)11-10-23(17-6-4-3-5-7-17)33-16-20(15-28-33)29-25(34)24-21-9-8-18(12-22(21)30-31-24)19-13-26-27-14-19/h3-9,12-16,23H,10-11H2,1-2H3,(H,26,27)(H,29,34)(H,30,31)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059198
(CHEMBL3393340)Show SMILES N#Cc1ccnc(Nc2cc(cc(n2)C2CC2)C2CCN(CC2)C2COC2)c1 Show InChI InChI=1S/C22H25N5O/c23-12-15-3-6-24-21(9-15)26-22-11-18(10-20(25-22)17-1-2-17)16-4-7-27(8-5-16)19-13-28-14-19/h3,6,9-11,16-17,19H,1-2,4-5,7-8,13-14H2,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059202
(CHEMBL3393327)Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)N1CCC(F)(F)C1 Show InChI InChI=1S/C22H24F5N5O/c1-14(33)31-7-3-15(4-8-31)16-10-19(29-18-12-17(2-6-28-18)22(25,26)27)30-20(11-16)32-9-5-21(23,24)13-32/h2,6,10-12,15H,3-5,7-9,13H2,1H3,(H,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015262
(CHEMBL3263049)Show SMILES CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r| Show InChI InChI=1S/C23H21N7O/c1-2-21(15-6-4-3-5-7-15)30-14-18(13-26-30)27-23(31)22-19-9-8-16(10-20(19)28-29-22)17-11-24-25-12-17/h3-14,21H,2H2,1H3,(H,24,25)(H,27,31)(H,28,29)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015275
(CHEMBL3263035)Show SMILES Nc1ccc(cn1)-c1ccc2c(n[nH]c2c1)C(=O)Nc1cnn(Cc2cccc(c2)C#N)c1 Show InChI InChI=1S/C24H18N8O/c25-10-15-2-1-3-16(8-15)13-32-14-19(12-28-32)29-24(33)23-20-6-4-17(9-21(20)30-31-23)18-5-7-22(26)27-11-18/h1-9,11-12,14H,13H2,(H2,26,27)(H,29,33)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015252
(CHEMBL3263039)Show InChI InChI=1S/C18H14N4OS/c23-18(17-13-8-4-5-9-14(13)21-22-17)20-16-11-19-15(24-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,23)(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059205
(CHEMBL3393322 | US9868720, No. 92)Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCNCC2)c1 Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-8-30(11-18)17-27-14(12-1-5-25-6-2-12)10-16(29-17)28-15-9-13(3-7-26-15)19(22,23)24/h3,7,9-10,12,25H,1-2,4-6,8,11H2,(H,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015251
(CHEMBL3263038)Show InChI InChI=1S/C18H15N5O/c24-18(17-14-8-4-5-9-15(14)20-21-17)19-16-10-11-23(22-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)(H,19,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015254
(CHEMBL3263041)Show InChI InChI=1S/C18H14N4O2/c23-17(16-14-8-4-5-9-15(14)21-22-16)20-18-19-11-13(24-18)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,21,22)(H,19,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015253
(CHEMBL3263040)Show InChI InChI=1S/C18H14N4OS/c23-17(16-14-8-4-5-9-15(14)21-22-16)20-18-19-11-13(24-18)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,21,22)(H,19,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| >4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059211
(CHEMBL3393314)Show SMILES CC(C)c1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O/c1-17(2)20-11-12-26-23(14-20)29-24-15-22(27-18(3)28-24)21-10-7-13-30(16-21)25(31)19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15,17,21H,7,10,13,16H2,1-3H3,(H,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059189
(CHEMBL3393332)Show SMILES CC(C)(O)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1 Show InChI InChI=1S/C18H19F2N5O/c1-17(2,26)13-8-15(23-14-7-12(10-21)3-5-22-14)24-16(9-13)25-6-4-18(19,20)11-25/h3,5,7-9,26H,4,6,11H2,1-2H3,(H,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059200
(CHEMBL3393330)Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1(CCOCC1)C#N Show InChI InChI=1S/C21H20F2N6O/c22-21(23)2-6-29(14-21)19-11-16(20(13-25)3-7-30-8-4-20)10-18(28-19)27-17-9-15(12-24)1-5-26-17/h1,5,9-11H,2-4,6-8,14H2,(H,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015264
(CHEMBL3263051)Show SMILES OC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r| Show InChI InChI=1S/C22H19N7O2/c30-13-20(14-4-2-1-3-5-14)29-12-17(11-25-29)26-22(31)21-18-7-6-15(8-19(18)27-28-21)16-9-23-24-10-16/h1-12,20,30H,13H2,(H,23,24)(H,26,31)(H,27,28)/t20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059206
(CHEMBL3393321)Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCCNC2)c1 Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-7-30(11-18)17-27-14(12-2-1-5-25-10-12)9-16(29-17)28-15-8-13(3-6-26-15)19(22,23)24/h3,6,8-9,12,25H,1-2,4-5,7,10-11H2,(H,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059207
(CHEMBL3393320)Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCCNC2)c1 Show InChI InChI=1S/C19H23F3N6/c20-19(21,22)14-5-7-24-16(10-14)26-17-11-15(13-4-3-6-23-12-13)25-18(27-17)28-8-1-2-9-28/h5,7,10-11,13,23H,1-4,6,8-9,12H2,(H,24,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015250
(CHEMBL3263037)Show SMILES O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2cc(ccc12)-c1cc[nH]n1 Show InChI InChI=1S/C22H14N8O/c23-10-14-2-1-3-15(8-14)12-30-13-17(11-25-30)26-22(31)21-18-5-4-16(9-20(18)28-29-21)19-6-7-24-27-19/h1-9,11,13H,12H2,(H,26,31)/b19-16- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059193
(CHEMBL3393336)Show SMILES N#Cc1ccnc(Nc2cc(cc(n2)N2CCC2)C2CCN(CC2)C2COC2)c1 Show InChI InChI=1S/C22H26N6O/c23-13-16-2-5-24-20(10-16)25-21-11-18(12-22(26-21)28-6-1-7-28)17-3-8-27(9-4-17)19-14-29-15-19/h2,5,10-12,17,19H,1,3-4,6-9,14-15H2,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059192
(CHEMBL3393335)Show SMILES COC1CN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1 Show InChI InChI=1S/C23H28N6O2/c1-30-20-12-29(13-20)23-10-18(17-3-6-28(7-4-17)19-14-31-15-19)9-22(27-23)26-21-8-16(11-24)2-5-25-21/h2,5,8-10,17,19-20H,3-4,6-7,12-15H2,1H3,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015274
(CHEMBL3262783)Show SMILES O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2cc(ccc12)-c1cccnc1 Show InChI InChI=1S/C24H17N7O/c25-11-16-3-1-4-17(9-16)14-31-15-20(13-27-31)28-24(32)23-21-7-6-18(10-22(21)29-30-23)19-5-2-8-26-12-19/h1-10,12-13,15H,14H2,(H,28,32)(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015257
(CHEMBL3263044)Show SMILES CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1 |r| Show InChI InChI=1S/C20H19N5O/c1-2-18(14-8-4-3-5-9-14)25-13-15(12-21-25)22-20(26)19-16-10-6-7-11-17(16)23-24-19/h3-13,18H,2H2,1H3,(H,22,26)(H,23,24)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059199
(CHEMBL3393331)Show SMILES CC(C)(C#N)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1 Show InChI InChI=1S/C19H18F2N6/c1-18(2,11-23)14-8-16(25-15-7-13(10-22)3-5-24-15)26-17(9-14)27-6-4-19(20,21)12-27/h3,5,7-9H,4,6,12H2,1-2H3,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015269
(CHEMBL3262780)Show SMILES O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C19H14N6O/c20-9-13-4-3-5-14(8-13)11-25-12-15(10-21-25)22-19(26)18-16-6-1-2-7-17(16)23-24-18/h1-8,10,12H,11H2,(H,22,26)(H,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
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059210
(CHEMBL3393315)Show SMILES Cc1nc(Nc2cc(ccn2)C2CC2)cc(n1)C1CCCN(C1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H27N5O/c1-17-27-22(15-24(28-17)29-23-14-20(11-12-26-23)18-9-10-18)21-8-5-13-30(16-21)25(31)19-6-3-2-4-7-19/h2-4,6-7,11-12,14-15,18,21H,5,8-10,13,16H2,1H3,(H,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059197
(CHEMBL3393339)Show SMILES CCc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1 Show InChI InChI=1S/C21H25N5O/c1-2-18-10-17(16-4-7-26(8-5-16)19-13-27-14-19)11-21(24-18)25-20-9-15(12-22)3-6-23-20/h3,6,9-11,16,19H,2,4-5,7-8,13-14H2,1H3,(H,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059212
(CHEMBL3393312)Show SMILES Cc1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H22F3N5O/c1-15-28-19(13-21(29-15)30-20-12-18(9-10-27-20)23(24,25)26)17-8-5-11-31(14-17)22(32)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059215
(CHEMBL3393328)Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1 Show InChI InChI=1S/C22H24F2N6O/c1-15(31)29-7-3-17(4-8-29)18-11-20(27-19-10-16(13-25)2-6-26-19)28-21(12-18)30-9-5-22(23,24)14-30/h2,6,10-12,17H,3-5,7-9,14H2,1H3,(H,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015259
(CHEMBL3263046)Show SMILES O=C(Nc1cnn(Cc2ccc(cc2)C#N)c1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C19H14N6O/c20-9-13-5-7-14(8-6-13)11-25-12-15(10-21-25)22-19(26)18-16-3-1-2-4-17(16)23-24-18/h1-8,10,12H,11H2,(H,22,26)(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059203
(CHEMBL3393324)Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1 Show InChI InChI=1S/C21H23F5N6O/c1-13(33)31-7-3-14(4-8-31)16-11-18(29-17-10-15(2-6-27-17)21(24,25)26)30-19(28-16)32-9-5-20(22,23)12-32/h2,6,10-11,14H,3-5,7-9,12H2,1H3,(H,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015260
(CHEMBL3263047)Show SMILES Clc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)c1 Show InChI InChI=1S/C18H14ClN5O/c19-13-5-3-4-12(8-13)10-24-11-14(9-20-24)21-18(25)17-15-6-1-2-7-16(15)22-23-17/h1-9,11H,10H2,(H,21,25)(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059214
(CHEMBL3393308)Show SMILES Cc1cnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)s1 Show InChI InChI=1S/C21H23N5OS/c1-14-12-22-21(28-14)25-19-11-18(23-15(2)24-19)17-9-6-10-26(13-17)20(27)16-7-4-3-5-8-16/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3,(H,22,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015258
(CHEMBL3263045)Show InChI InChI=1S/C18H15N5O/c24-18(17-15-8-4-5-9-16(15)21-22-17)20-14-10-19-23(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,20,24)(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059204
(CHEMBL3393323)Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCOCC2)c1 Show InChI InChI=1S/C19H20F5N5O/c20-18(21)4-6-29(11-18)17-26-14(12-2-7-30-8-3-12)10-16(28-17)27-15-9-13(1-5-25-15)19(22,23)24/h1,5,9-10,12H,2-4,6-8,11H2,(H,25,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015261
(CHEMBL3263048)Show SMILES CN(C)Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)c1 Show InChI InChI=1S/C21H22N6O/c1-26(2)12-15-6-5-7-16(10-15)13-27-14-17(11-22-27)23-21(28)20-18-8-3-4-9-19(18)24-25-20/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,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
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015256
(CHEMBL3263043)Show SMILES CC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1 |r| Show InChI InChI=1S/C20H19N5O/c1-2-18(14-8-4-3-5-9-14)25-13-15(12-21-25)22-20(26)19-16-10-6-7-11-17(16)23-24-19/h3-13,18H,2H2,1H3,(H,22,26)(H,23,24)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059208
(CHEMBL3393318)Show SMILES COc1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1 Show InChI InChI=1S/C23H25N5O2/c1-16-25-20(14-22(26-16)27-21-13-19(30-2)10-11-24-21)18-9-6-12-28(15-18)23(29)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,18H,6,9,12,15H2,1-2H3,(H,24,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50015273
(CHEMBL3262782)Show SMILES O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2cc(ccc12)-c1ccncc1 Show InChI InChI=1S/C24H17N7O/c25-12-16-2-1-3-17(10-16)14-31-15-20(13-27-31)28-24(32)23-21-5-4-19(11-22(21)29-30-23)18-6-8-26-9-7-18/h1-11,13,15H,14H2,(H,28,32)(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis |
Bioorg Med Chem Lett 24: 2448-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059213
(CHEMBL3393310)Show SMILES Cc1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1 Show InChI InChI=1S/C23H25N5O/c1-16-10-11-24-21(13-16)27-22-14-20(25-17(2)26-22)19-9-6-12-28(15-19)23(29)18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,19H,6,9,12,15H2,1-2H3,(H,24,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059209
(CHEMBL3393317)Show SMILES Cc1nc(Nc2cc(ccn2)C#N)cc(n1)C1CCCN(C1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H22N6O/c1-16-26-20(13-22(27-16)28-21-12-17(14-24)9-10-25-21)19-8-5-11-29(15-19)23(30)18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,19H,5,8,11,15H2,1H3,(H,25,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059196
(CHEMBL3393338)Show SMILES Cc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1 Show InChI InChI=1S/C20H23N5O/c1-14-8-17(16-3-6-25(7-4-16)18-12-26-13-18)10-20(23-14)24-19-9-15(11-21)2-5-22-19/h2,5,8-10,16,18H,3-4,6-7,12-13H2,1H3,(H,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059226
(CHEMBL3393325)Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CC(F)(F)C1 Show InChI InChI=1S/C20H21F5N6O/c1-12(32)30-6-3-13(4-7-30)15-9-17(29-18(27-15)31-10-19(21,22)11-31)28-16-8-14(2-5-26-16)20(23,24)25/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3,(H,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |