Found 10 hits Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM50269948' 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)) | BDBM50269948
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of GST-FAK domain (410-689) (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00338 BindingDB Entry DOI: 10.7270/Q2DJ5K8C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50269948
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant FAK (410 to 689 residues) (unknown origin) using Poly (4:1 Glu, Tyr) peptide as substrate enzyme pretreated with substrate ... |
Eur J Med Chem 177: 32-46 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.048 BindingDB Entry DOI: 10.7270/Q2XS5ZQT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50269948
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of FAK (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-013-0768-0 BindingDB Entry DOI: 10.7270/Q2XW4M8H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50269948
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01511 BindingDB Entry DOI: 10.7270/Q22Z19M2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50269948
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description Inhibition of FAK (unknown origin) |
J Biol Chem 282: 14845-52 (2007)
Article DOI: 10.1074/jbc.M606695200 BindingDB Entry DOI: 10.7270/Q2J67GQH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50269948
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description Inhibition of FAK Tyr397 phosphorylation in human A431 cells by ELISA |
J Biol Chem 282: 14845-52 (2007)
Article DOI: 10.1074/jbc.M606695200 BindingDB Entry DOI: 10.7270/Q2J67GQH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50269948
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description Inhibition of FAK Tyr397 phosphorylation in human FG cells after 60 mins by western blot analysis |
J Biol Chem 282: 14845-52 (2007)
Article DOI: 10.1074/jbc.M606695200 BindingDB Entry DOI: 10.7270/Q2J67GQH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50269948
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description Inhibition of FAK Tyr397 phosphorylation in human SKOV3 cells after 60 mins by western blot analysis |
J Biol Chem 282: 14845-52 (2007)
Article DOI: 10.1074/jbc.M606695200 BindingDB Entry DOI: 10.7270/Q2J67GQH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50269948
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description Inhibition of FAK Tyr397 phosphorylation in human PC3 cells after 60 mins by western blot analysis |
J Biol Chem 282: 14845-52 (2007)
Article DOI: 10.1074/jbc.M606695200 BindingDB Entry DOI: 10.7270/Q2J67GQH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50269948
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description Inhibition of FAK Tyr397 phosphorylation in human L3.6pl cells after 60 mins by western blot analysis |
J Biol Chem 282: 14845-52 (2007)
Article DOI: 10.1074/jbc.M606695200 BindingDB Entry DOI: 10.7270/Q2J67GQH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |