Found 17 hits 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 |
|---|
Focal adhesion kinase 1
(276/276 = 100%)†
(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 | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 60 mins prio... |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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
(276/276 = 100%)†
(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 | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 60 mins prio... |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 5 mins prior... |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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
(276/276 = 100%)†
(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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 5 mins prior... |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 60 mins prior to 0.5 uM of ... |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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
(276/276 = 100%)†
(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 | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FAK using [gamma-33P]ATP |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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 | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 5 mins prior to 0.5 uM ATP ... |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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 | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 60 mins prior to 1000 uM of... |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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
(276/276 = 100%)†
(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 5 mins prior to 1000 uM of ... |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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 | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged phosphorylated full length FAK incubated for 60 mins prior to 0.5 uM of ATP addition by HTRF analysis |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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 | 1.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged phosphorylated full length FAK incubated for 5 mins prior to 0.5 uM of ATP addition by HTRF analysis |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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 | >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 human GST-tagged phosphorylated full length FAK incubated for 60 mins prior to 1000 uM of ATP addition by HTRF analysis |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(276/276 = 100%)†
(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 | >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 human GST-tagged phosphorylated full length FAK incubated for 5 mins prior to 1000 uM of ATP addition by HTRF analysis |
Eur J Med Chem 61: 49-60 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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