Found 7 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50334594
(2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris Descartes
Curated by ChEMBL
| Assay Description Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay |
Bioorg Med Chem Lett 27: 1727-1730 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.072 BindingDB Entry DOI: 10.7270/Q2ZC855F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50236987
(CHEMBL4097578)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)nnc1Cl Show InChI InChI=1S/C22H24ClN7O3/c1-24-21(31)15-5-3-4-6-16(15)25-20-19(23)28-29-22(27-20)26-17-8-7-14(13-18(17)32-2)30-9-11-33-12-10-30/h3-8,13H,9-12H2,1-2H3,(H,24,31)(H2,25,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris Descartes
Curated by ChEMBL
| Assay Description Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay |
Bioorg Med Chem Lett 27: 1727-1730 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.072 BindingDB Entry DOI: 10.7270/Q2ZC855F |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50236988
(CHEMBL4065141)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)nnc1Cl Show InChI InChI=1S/C21H22ClN7O2/c1-23-20(30)16-4-2-3-5-17(16)25-19-18(22)27-28-21(26-19)24-14-6-8-15(9-7-14)29-10-12-31-13-11-29/h2-9H,10-13H2,1H3,(H,23,30)(H2,24,25,26,28) | 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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris Descartes
Curated by ChEMBL
| Assay Description Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay |
Bioorg Med Chem Lett 27: 1727-1730 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.072 BindingDB Entry DOI: 10.7270/Q2ZC855F |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50236992
(CHEMBL4098626)Show InChI InChI=1S/C18H18ClN7O/c1-21-17(27)13-4-2-3-5-14(13)23-16-15(19)25-26-18(24-16)22-12-8-6-11(10-20)7-9-12/h2-9H,10,20H2,1H3,(H,21,27)(H2,22,23,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris Descartes
Curated by ChEMBL
| Assay Description Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay |
Bioorg Med Chem Lett 27: 1727-1730 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.072 BindingDB Entry DOI: 10.7270/Q2ZC855F |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50236990
(CHEMBL4080590)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nnc1Cl Show InChI InChI=1S/C20H21ClN6O4/c1-22-19(28)12-7-5-6-8-13(12)24-18-17(21)26-27-20(25-18)23-11-9-14(29-2)16(31-4)15(10-11)30-3/h5-10H,1-4H3,(H,22,28)(H2,23,24,25,27) | 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 | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris Descartes
Curated by ChEMBL
| Assay Description Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay |
Bioorg Med Chem Lett 27: 1727-1730 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.072 BindingDB Entry DOI: 10.7270/Q2ZC855F |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50236989
(CHEMBL4092812)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cc(C)c(Cl)cc2OC)nnc1Cl Show InChI InChI=1S/C19H18Cl2N6O2/c1-10-8-14(15(29-3)9-12(10)20)24-19-25-17(16(21)26-27-19)23-13-7-5-4-6-11(13)18(28)22-2/h4-9H,1-3H3,(H,22,28)(H2,23,24,25,27) | 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 | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris Descartes
Curated by ChEMBL
| Assay Description Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay |
Bioorg Med Chem Lett 27: 1727-1730 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.072 BindingDB Entry DOI: 10.7270/Q2ZC855F |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50236991
(CHEMBL4060227)Show SMILES COc1cc(Nc2nnc(Cl)c(Nc3cccc(NS(C)(=O)=O)c3)n2)cc(OC)c1OC Show InChI InChI=1S/C19H21ClN6O5S/c1-29-14-9-13(10-15(30-2)16(14)31-3)22-19-23-18(17(20)24-25-19)21-11-6-5-7-12(8-11)26-32(4,27)28/h5-10,26H,1-4H3,(H2,21,22,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris Descartes
Curated by ChEMBL
| Assay Description Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay |
Bioorg Med Chem Lett 27: 1727-1730 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.072 BindingDB Entry DOI: 10.7270/Q2ZC855F |
More data for this Ligand-Target Pair | |