Found 2848 hits of ic50 data for polymerid = 2871,4904 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50513279
(CHEMBL4554455)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)SCCN(C)C)ncc1C(F)(F)F Show InChI InChI=1S/C29H33F3N8O2S2/c1-33-25(41)21-6-4-5-7-23(21)36-24-22(29(30,31)32)18-34-27(37-24)35-20-10-8-19(9-11-20)26(42)39-12-14-40(15-13-39)28(43)44-17-16-38(2)3/h4-11,18H,12-17H2,1-3H3,(H,33,41)(H2,34,35,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Gl... |
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 | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50206389
(CHEMBL3939307)Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(CCc3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H20N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,27)(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Taiwan National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of VEGFR3 (unknown origin) |
Eur J Med Chem 124: 186-199 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590475
(CHEMBL5170906)Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCSCC3)cc2)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM25117
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Fuzhou University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR3 (unknown origin) |
Eur J Med Chem 179: 916-935 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.070 BindingDB Entry DOI: 10.7270/Q2KD224D |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM25117
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF)
Curated by ChEMBL
| Assay Description Inhibition of VEGFR3 (unknown origin) |
Eur J Med Chem 142: 383-392 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.007 BindingDB Entry DOI: 10.7270/Q2WS8WZZ |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590490
(CHEMBL5198068)Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CN3CCC(CC3)C(=O)NCCCCCC(=O)NO)cc2)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.108 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)Show SMILES COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02167 BindingDB Entry DOI: 10.7270/Q22R3WQ4 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590479
(CHEMBL5196177)Show SMILES CCOP(=O)(CC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1)OCC | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.117 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590489
(CHEMBL5176233)Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CC3)C(=O)NCCCCCC(=O)NO)cc2)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.124 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590488
(CHEMBL5206909)Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCC(=O)NO)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.153 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590483
(CHEMBL5187385)Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CN3CCC(CC3)C(O)=O)cc2)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.161 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590484
(CHEMBL5190968)Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CC3)C(=O)NCCO)cc2)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.192 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590485
(CHEMBL5177776)Show SMILES CCC(C)C(CO)NC(=O)C1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.194 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50362065
(CHEMBL1940109)Show SMILES COCCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)c2cc1OC Show InChI InChI=1S/C24H25N5O6/c1-31-7-8-34-22-11-20-19(10-21(22)33-3)24(26-15-25-20)35-18-12-27-29(13-18)14-23(30)28-16-5-4-6-17(9-16)32-2/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,28,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of VEGFR3 phosphorylation by cell based assay |
Bioorg Med Chem Lett 22: 262-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.019 BindingDB Entry DOI: 10.7270/Q24F1R6H |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590474
(CHEMBL5176990)Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CO)CC3)cc2)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.213 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50331095
(CHEMBL1289494 | Tivozanib | US10464902, Tivozanib)Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Genoa
Curated by ChEMBL
| Assay Description Inhibition of VEGFR3 |
J Med Chem 55: 10797-822 (2012)
Article DOI: 10.1021/jm301085w BindingDB Entry DOI: 10.7270/Q2BP03XZ |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590477
(CHEMBL5204729)Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.275 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590482
(CHEMBL5186801)Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CC3)C(O)=O)cc2)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.296 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM155552
(US9012461, 28)Show SMILES CN1CCc2cc(Nc3ncc(c(CCc4ccccc4CC(N)=O)n3)C(F)(F)F)ccc2C1 Show InChI InChI=1S/C25H26F3N5O/c1-33-11-10-18-12-20(8-6-19(18)15-33)31-24-30-14-21(25(26,27)28)22(32-24)9-7-16-4-2-3-5-17(16)13-23(29)34/h2-6,8,12,14H,7,9-11,13,15H2,1H3,(H2,29,34)(H,30,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Cancer Therapeutics CRC Pty Ltd
US Patent
| Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S... |
US Patent US9012461 (2015)
BindingDB Entry DOI: 10.7270/Q2RN36K7 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590487
(CHEMBL5199835)Show SMILES COC(=O)CCCCCNC(=O)C1CCN(CC(=O)Nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.315 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590476
(CHEMBL5178369)Show SMILES CCOP(=O)(Cc1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1)OCC | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.315 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM155547
(US9012461, 23)Show SMILES CC(=O)N1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H30F3N5O2/c1-18(37)36-14-12-21(13-15-36)20-6-9-23(10-7-20)34-27-33-17-24(28(29,30)31)25(35-27)11-8-19-4-2-3-5-22(19)16-26(32)38/h2-7,9-10,17,21H,8,11-16H2,1H3,(H2,32,38)(H,33,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Cancer Therapeutics CRC Pty Ltd
US Patent
| Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S... |
US Patent US9012461 (2015)
BindingDB Entry DOI: 10.7270/Q2RN36K7 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50362064
(CHEMBL1940108)Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1 Show InChI InChI=1S/C22H21N5O5/c1-29-15-6-4-5-14(7-15)26-21(28)12-27-11-16(10-25-27)32-22-17-8-19(30-2)20(31-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of VEGFR3 phosphorylation by cell based assay |
Bioorg Med Chem Lett 22: 262-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.019 BindingDB Entry DOI: 10.7270/Q24F1R6H |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50568532
(CHEMBL4742157)Show SMILES CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | 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: 10.1021/acs.jmedchem.0c01248 BindingDB Entry DOI: 10.7270/Q24T6P31 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50336457
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Ireland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant VEGFR3 in cell free system after 90 mins |
Bioorg Med Chem Lett 21: 1167-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM418817
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant FAK (unknown origin) by radiometric kinase assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00459 BindingDB Entry DOI: 10.7270/Q2TT4VSH |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50246239
(CHEMBL487229 | N-methyl-N-(2-((2-(1-oxoisoindolin-...)Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3C(=O)NCc3c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)10-26-19-17(22(23,24)25)12-28-21(30-19)29-15-7-8-16-14(9-15)11-27-20(16)32/h3-9,12H,10-11H2,1-2H3,(H,27,32)(H2,26,28,29,30) | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation |
Bioorg Med Chem Lett 18: 6071-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.030 BindingDB Entry DOI: 10.7270/Q2C8295H |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50592745
(CHEMBL5188373)Show SMILES COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116907 BindingDB Entry DOI: 10.7270/Q2J96BC1 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50207359
(CHEMBL3892377)Show SMILES CS(=O)(=O)N(CC=C)c1ncccc1CNc1nc(Nc2cccc(Br)c2)ncc1C(F)(F)F Show InChI InChI=1S/C21H20BrF3N6O2S/c1-3-10-31(34(2,32)33)19-14(6-5-9-26-19)12-27-18-17(21(23,24)25)13-28-20(30-18)29-16-8-4-7-15(22)11-16/h3-9,11,13H,1,10,12H2,2H3,(H2,27,28,29,30) | 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 | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of NH2-terminal His6-tagged FAK kinase domain (410 to 689 residues) (unknown origin) expressed in baculovirus infected sf9 cells using p(G... |
Bioorg Med Chem Lett 26: 5926-5930 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.092 BindingDB Entry DOI: 10.7270/Q2ST7RTJ |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50207351
(CHEMBL3965256)Show SMILES CS(=O)(=O)N(CC=C)c1ncccc1CNc1nc(Nc2ccc(N3CCOCC3)c(Br)c2)ncc1C(F)(F)F Show InChI InChI=1S/C25H27BrF3N7O3S/c1-3-9-36(40(2,37)38)23-17(5-4-8-30-23)15-31-22-19(25(27,28)29)16-32-24(34-22)33-18-6-7-21(20(26)14-18)35-10-12-39-13-11-35/h3-8,14,16H,1,9-13,15H2,2H3,(H2,31,32,33,34) | 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 | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of NH2-terminal His6-tagged FAK kinase domain (410 to 689 residues) (unknown origin) expressed in baculovirus infected sf9 cells using p(G... |
Bioorg Med Chem Lett 26: 5926-5930 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.092 BindingDB Entry DOI: 10.7270/Q2ST7RTJ |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590486
(CHEMBL5177168)Show SMILES COC(=O)CCCCCNC(=O)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.514 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590473
(CHEMBL5192604)Show SMILES CCOC(=O)C1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.579 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM418609
(N-methyl-4-({4-[({2- [methyl(methylsulfonyl)amino]...)Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H22F3N7O3S/c1-25-19(32)13-6-8-15(9-7-13)29-20-28-12-16(21(22,23)24)17(30-20)27-11-14-5-4-10-26-18(14)31(2)35(3,33)34/h4-10,12H,11H2,1-3H3,(H,25,32)(H2,27,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human FAK |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01248 BindingDB Entry DOI: 10.7270/Q24T6P31 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50554439
(CHEMBL4752642)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)C=C)c(=O)c3=O)cc2)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | 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: 10.1021/acs.jmedchem.0c01248 BindingDB Entry DOI: 10.7270/Q24T6P31 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM418817
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human recombinant FAK |
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 | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM155537
(US9012461, 13)Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)35-12-14-36(15-13-35)22-9-7-21(8-10-22)33-26-32-17-23(27(28,29)30)24(34-26)11-6-19-4-2-3-5-20(19)16-25(31)38/h2-5,7-10,17H,6,11-16H2,1H3,(H2,31,38)(H,32,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Cancer Therapeutics CRC Pty Ltd
US Patent
| Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S... |
US Patent US9012461 (2015)
BindingDB Entry DOI: 10.7270/Q2RN36K7 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50554439
(CHEMBL4752642)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)C=C)c(=O)c3=O)cc2)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Gl... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01059 BindingDB Entry DOI: 10.7270/Q2F193CK |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM418817
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113978 BindingDB Entry DOI: 10.7270/Q2XP7908 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human FLT4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.02.022 BindingDB Entry DOI: 10.7270/Q2DJ5KB8 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50413752
(CHEMBL2012519 | L-783277)Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay |
J Med Chem 62: 9141-9160 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01025 BindingDB Entry DOI: 10.7270/Q2H41VR7 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM155548
(US9012461, 24)Show SMILES CC(=O)C1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H30F3N5O2/c1-18(37)19-12-14-36(15-13-19)23-9-7-22(8-10-23)34-27-33-17-24(28(29,30)31)25(35-27)11-6-20-4-2-3-5-21(20)16-26(32)38/h2-5,7-10,17,19H,6,11-16H2,1H3,(H2,32,38)(H,33,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Cancer Therapeutics CRC Pty Ltd
US Patent
| Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S... |
US Patent US9012461 (2015)
BindingDB Entry DOI: 10.7270/Q2RN36K7 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50321892
((Z)-5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-di...)Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1 Show InChI InChI=1S/C23H20N4O5/c1-12-18(22(29)30)11-24-19(12)10-17-16-8-5-14(9-20(16)27-21(17)28)26-23(31)25-13-3-6-15(32-2)7-4-13/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-10- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR3 |
Bioorg Med Chem 18: 4674-86 (2011)
Article DOI: 10.1016/j.bmc.2010.05.021 BindingDB Entry DOI: 10.7270/Q2QF8TVS |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM155544
(US9012461, 20)Show SMILES NC1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H29F3N6O/c27-26(28,29)22-16-32-25(33-20-6-8-21(9-7-20)35-13-11-19(30)12-14-35)34-23(22)10-5-17-3-1-2-4-18(17)15-24(31)36/h1-4,6-9,16,19H,5,10-15,30H2,(H2,31,36)(H,32,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Cancer Therapeutics CRC Pty Ltd
US Patent
| Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S... |
US Patent US9012461 (2015)
BindingDB Entry DOI: 10.7270/Q2RN36K7 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description Inhibition of FLT4 (unknown origin) incubated for 1 hr by spectrophotometric analysis |
Bioorg Med Chem 24: 3483-93 (2016)
Article DOI: 10.1016/j.bmc.2016.05.057 BindingDB Entry DOI: 10.7270/Q29G5PQT |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50246286
(CHEMBL488247 | N-methyl-N-(2-((2-(4-(methylsulfony...)Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H22F3N5O4S2/c1-29(35(3,32)33)18-7-5-4-6-14(18)12-25-19-17(21(22,23)24)13-26-20(28-19)27-15-8-10-16(11-9-15)34(2,30)31/h4-11,13H,12H2,1-3H3,(H2,25,26,27,28) | 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 | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation |
Bioorg Med Chem Lett 18: 6071-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.030 BindingDB Entry DOI: 10.7270/Q2C8295H |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50590481
(CHEMBL5180558)Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCC(CC2)C(O)=O)ncc1Cl | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.976 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114607 BindingDB Entry DOI: 10.7270/Q2W95F59 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM134114
(US8846689, 116)Show SMILES CON1Cc2cccc(Oc3nc(Nc4cc(F)c(cc4OC)C(=O)N[C@@H]4CCCN(C)C4)ncc3C(F)(F)F)c2C1=O |r| Show InChI InChI=1S/C28H28F4N6O5/c1-37-9-5-7-16(14-37)34-24(39)17-10-22(41-2)20(11-19(17)29)35-27-33-12-18(28(30,31)32)25(36-27)43-21-8-4-6-15-13-38(42-3)26(40)23(15)21/h4,6,8,10-12,16H,5,7,9,13-14H2,1-3H3,(H,34,39)(H,33,35,36)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim International GmbH
US Patent
| Assay Description This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec... |
US Patent US8846689 (2014)
BindingDB Entry DOI: 10.7270/Q2BC3X7Z |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM134115
(US8846689, 117)Show SMILES CON1Cc2cccc(Oc3nc(Nc4ccc(cc4OC)C(=O)N[C@@H]4CCCN(C)C4)ncc3C(F)(F)F)c2C1=O |r| Show InChI InChI=1S/C28H29F3N6O5/c1-36-11-5-7-18(15-36)33-24(38)16-9-10-20(22(12-16)40-2)34-27-32-13-19(28(29,30)31)25(35-27)42-21-8-4-6-17-14-37(41-3)26(39)23(17)21/h4,6,8-10,12-13,18H,5,7,11,14-15H2,1-3H3,(H,33,38)(H,32,34,35)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim International GmbH
US Patent
| Assay Description This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec... |
US Patent US8846689 (2014)
BindingDB Entry DOI: 10.7270/Q2BC3X7Z |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM134116
(US8846689, 118)Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1)C(F)(F)F Show InChI InChI=1S/C30H32F4N6O4/c1-29(2)18-7-6-8-22(24(18)27(42)40(29)4)44-26-19(30(32,33)34)15-35-28(38-26)37-21-14-20(31)17(13-23(21)43-5)25(41)36-16-9-11-39(3)12-10-16/h6-8,13-16H,9-12H2,1-5H3,(H,36,41)(H,35,37,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim International GmbH
US Patent
| Assay Description This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec... |
US Patent US8846689 (2014)
BindingDB Entry DOI: 10.7270/Q2BC3X7Z |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM134117
(US8846689, 119)Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(c(Oc3cccc4CN(C)C(=O)c34)n2)C(F)(F)F)cc1F |r| Show InChI InChI=1S/C29H30F4N6O5/c1-38-9-8-19(23(14-38)43-4)35-25(40)16-10-22(42-3)20(11-18(16)30)36-28-34-12-17(29(31,32)33)26(37-28)44-21-7-5-6-15-13-39(2)27(41)24(15)21/h5-7,10-12,19,23H,8-9,13-14H2,1-4H3,(H,35,40)(H,34,36,37)/t19-,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim International GmbH
US Patent
| Assay Description This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec... |
US Patent US8846689 (2014)
BindingDB Entry DOI: 10.7270/Q2BC3X7Z |
More data for this Ligand-Target Pair | |