Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50042746 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 |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430288
(CHEMBL2333435)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1 Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430292
(CHEMBL2333441)Show SMILES CN1c2ccc(NCc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C18H17FN4O2S/c1-22-18-15-9-14(20-10-12-3-5-13(19)6-4-12)7-8-16(15)23(2)26(24,25)17(18)11-21-22/h3-9,11,20H,10H2,1-2H3 | PDB MMDB
NCI pathway 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 |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430288
(CHEMBL2333435)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1 Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 5 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430298
(CHEMBL2333434)Show SMILES CN1c2ccc(cc2-c2n[nH]cc2S1(=O)=O)-c1ccc(cc1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C24H26N4O4S/c1-27-21-7-6-19(14-20(21)23-22(15-25-26-23)33(27,31)32)17-2-4-18(5-3-17)24(30)28-11-8-16(9-12-28)10-13-29/h2-7,14-16,29H,8-13H2,1H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430287
(CHEMBL2333444)Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430289
(CHEMBL2333445)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1 Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430299
(CHEMBL2333433)Show SMILES CN1c2ccc(cc2-c2n[nH]cc2S1(=O)=O)-c1ccc(cc1)C(=O)NCCO Show InChI InChI=1S/C19H18N4O4S/c1-23-16-7-6-14(10-15(16)18-17(11-21-22-18)28(23,26)27)12-2-4-13(5-3-12)19(25)20-8-9-24/h2-7,10-11,24H,8-9H2,1H3,(H,20,25)(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430289
(CHEMBL2333445)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1 Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 5 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430290
(CHEMBL2333443)Show SMILES CN1c2ccc(NCc3ccc(Br)cc3)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C18H17BrN4O2S/c1-22-18-15-9-14(20-10-12-3-5-13(19)6-4-12)7-8-16(15)23(2)26(24,25)17(18)11-21-22/h3-9,11,20H,10H2,1-2H3 | PDB MMDB
NCI pathway 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430294
(CHEMBL2333439)Show SMILES CN1c2ccc(CNc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C18H17FN4O2S/c1-22-18-15-9-12(10-20-14-6-4-13(19)5-7-14)3-8-16(15)23(2)26(24,25)17(18)11-21-22/h3-9,11,20H,10H2,1-2H3 | PDB MMDB
NCI pathway 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 |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430297
(CHEMBL2333436)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1 Show InChI InChI=1S/C20H21N3O2S/c1-4-14-6-8-15(9-7-14)16-10-11-18-17(12-16)20-19(13-21-23(20)5-2)26(24,25)22(18)3/h6-13H,4-5H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430287
(CHEMBL2333444)Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 5 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430293
(CHEMBL2333440)Show SMILES CN1c2ccc(NC(=O)c3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C18H15FN4O3S/c1-22-17-14-9-13(21-18(24)11-3-5-12(19)6-4-11)7-8-15(14)23(2)27(25,26)16(17)10-20-22/h3-10H,1-2H3,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430289
(CHEMBL2333445)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1 Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 1000 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430300
(CHEMBL2333432)Show SMILES CN1c2ccc(cc2-c2n[nH]cc2S1(=O)=O)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C17H14N4O3S/c1-21-14-7-6-12(10-2-4-11(5-3-10)17(18)22)8-13(14)16-15(9-19-20-16)25(21,23)24/h2-9H,1H3,(H2,18,22)(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430291
(CHEMBL2333442)Show SMILES CN1c2ccc(Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C17H15FN4O2S/c1-21-17-14-9-13(20-12-5-3-11(18)4-6-12)7-8-15(14)22(2)25(23,24)16(17)10-19-21/h3-10,20H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50430289
(CHEMBL2333445)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1 Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430289
(CHEMBL2333445)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1 Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 1000 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430287
(CHEMBL2333444)Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of intracellular FAK autophosphorylation in human PC3 M-luc cells after 2 hrs |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50430289
(CHEMBL2333445)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1 Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50430289
(CHEMBL2333445)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1 Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of Pyk2 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50430288
(CHEMBL2333435)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1 Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of Pyk2 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50430287
(CHEMBL2333444)Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of Pyk2 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50430289
(CHEMBL2333445)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1 Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of Src (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50430288
(CHEMBL2333435)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1 Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of Src (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50430287
(CHEMBL2333444)Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of Src (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50430289
(CHEMBL2333445)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1 Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of HER2 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50430288
(CHEMBL2333435)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1 Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of HER2 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50430287
(CHEMBL2333444)Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of HER2 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50430287
(CHEMBL2333444)Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of Akt1 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50430288
(CHEMBL2333435)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1 Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50430287
(CHEMBL2333444)Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50430289
(CHEMBL2333445)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1 Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of p38alpha (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50430288
(CHEMBL2333435)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1 Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3 | PDB MMDB
NCI pathway 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of p38alpha (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50430287
(CHEMBL2333444)Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of p38alpha (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50430289
(CHEMBL2333445)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1 Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of Akt1 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50430287
(CHEMBL2333444)Show SMILES CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50430288
(CHEMBL2333435)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1 Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50430288
(CHEMBL2333435)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1 Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of Akt1 (unknown origin) |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430292
(CHEMBL2333441)Show SMILES CN1c2ccc(NCc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C18H17FN4O2S/c1-22-18-15-9-14(20-10-12-3-5-13(19)6-4-12)7-8-16(15)23(2)26(24,25)17(18)11-21-22/h3-9,11,20H,10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of intracellular FAK autophosphorylation in human PC3 M-luc cells after 2 hrs |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430291
(CHEMBL2333442)Show SMILES CN1c2ccc(Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C17H15FN4O2S/c1-21-17-14-9-13(20-12-5-3-11(18)4-6-12)7-8-15(14)22(2)25(23,24)16(17)10-19-21/h3-10,20H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of intracellular FAK autophosphorylation in human PC3 M-luc cells after 2 hrs |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430290
(CHEMBL2333443)Show SMILES CN1c2ccc(NCc3ccc(Br)cc3)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C18H17BrN4O2S/c1-22-18-15-9-14(20-10-12-3-5-13(19)6-4-12)7-8-16(15)23(2)26(24,25)17(18)11-21-22/h3-9,11,20H,10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of intracellular FAK autophosphorylation in human PC3 M-luc cells after 2 hrs |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430295
(CHEMBL2333438)Show SMILES CN1c2ccc(cc2-c2c(cnn2C)S1(=O)=O)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C18H15FN4O3S/c1-22-17-14-9-11(18(24)21-13-6-4-12(19)5-7-13)3-8-15(14)23(2)27(25,26)16(17)10-20-22/h3-10H,1-2H3,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50430296
(CHEMBL2333437)Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cn(C)nc3-c2c1 Show InChI InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-21(2)20-19)25(23,24)22(17)3/h5-12H,4H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay |
Bioorg Med Chem Lett 23: 1779-85 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9 |
More data for this Ligand-Target Pair | |