Found 38 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)) | 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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207353
(CHEMBL3949755)Show SMILES CS(=O)(=O)N1CCCc2cccc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)c2 Show InChI InChI=1S/C21H21F3N6O2S/c1-33(31,32)30-10-4-6-14-5-2-8-16(11-14)28-20-27-13-17(21(22,23)24)18(29-20)26-12-15-7-3-9-25-19(15)30/h2-3,5,7-9,11,13H,4,6,10,12H2,1H3,(H2,26,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207349
(CHEMBL3958414)Show SMILES CS(=O)(=O)N1C\C=C\c2cc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)ccc2N1CCOCC1 |t:6| Show InChI InChI=1S/C25H26F3N7O3S/c1-39(36,37)35-9-3-5-17-14-19(6-7-21(17)34-10-12-38-13-11-34)32-24-31-16-20(25(26,27)28)22(33-24)30-15-18-4-2-8-29-23(18)35/h2-8,14,16H,9-13,15H2,1H3,(H2,30,31,32,33)/b5-3+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207350
(CHEMBL3956954)Show SMILES CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5ccccc15)n4)C(F)(F)F)ccc23 Show InChI InChI=1S/C26H27F3N6O3S/c1-39(37,38)35-12-5-4-8-23(36)34-13-11-17-14-19(9-10-21(17)34)32-25-31-16-20(26(27,28)29)24(33-25)30-15-18-6-2-3-7-22(18)35/h2-3,6-7,9-10,14,16H,4-5,8,11-13,15H2,1H3,(H2,30,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207355
(CHEMBL3987106)Show SMILES CS(=O)(=O)N1CCCc2cc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)ccc2N1CCOCC1 Show InChI InChI=1S/C25H28F3N7O3S/c1-39(36,37)35-9-3-5-17-14-19(6-7-21(17)34-10-12-38-13-11-34)32-24-31-16-20(25(26,27)28)22(33-24)30-15-18-4-2-8-29-23(18)35/h2,4,6-8,14,16H,3,5,9-13,15H2,1H3,(H2,30,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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)) | BDBM50207353
(CHEMBL3949755)Show SMILES CS(=O)(=O)N1CCCc2cccc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)c2 Show InChI InChI=1S/C21H21F3N6O2S/c1-33(31,32)30-10-4-6-14-5-2-8-16(11-14)28-20-27-13-17(21(22,23)24)18(29-20)26-12-15-7-3-9-25-19(15)30/h2-3,5,7-9,11,13H,4,6,10,12H2,1H3,(H2,26,27,28,29) | 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 | 1.30 | 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)) | BDBM50318884
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Reversible/competitive inhibition of NH2-terminal His6-tagged FAK kinase domain (410 to 689 residues) (unknown origin) expressed in baculovirus infec... |
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 | 
3D Structure (crystal) |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207365
(CHEMBL3899046)Show SMILES CN1Cc2ccccc2N(CCCCC(=O)N2CCc3cc(Nc4ncc(c1n4)C(F)(F)F)ccc23)S(C)(=O)=O Show InChI InChI=1S/C27H29F3N6O3S/c1-34-17-19-7-3-4-8-23(19)36(40(2,38)39)13-6-5-9-24(37)35-14-12-18-15-20(10-11-22(18)35)32-26-31-16-21(25(34)33-26)27(28,29)30/h3-4,7-8,10-11,15-16H,5-6,9,12-14,17H2,1-2H3,(H,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207356
(CHEMBL3969464)Show SMILES CN1Cc2cccnc2N(C\C=C\c2cc(Nc3ncc(c1n3)C(F)(F)F)ccc2N1CCOCC1)S(C)(=O)=O |t:12| Show InChI InChI=1S/C26H28F3N7O3S/c1-34-17-19-5-3-9-30-23(19)36(40(2,37)38)10-4-6-18-15-20(7-8-22(18)35-11-13-39-14-12-35)32-25-31-16-21(24(34)33-25)26(27,28)29/h3-9,15-16H,10-14,17H2,1-2H3,(H,31,32,33)/b6-4+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207352
(CHEMBL3908093)Show SMILES CCS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5ccccc15)n4)C(F)(F)F)ccc23 Show InChI InChI=1S/C27H29F3N6O3S/c1-2-40(38,39)36-13-6-5-9-24(37)35-14-12-18-15-20(10-11-22(18)35)33-26-32-17-21(27(28,29)30)25(34-26)31-16-19-7-3-4-8-23(19)36/h3-4,7-8,10-11,15,17H,2,5-6,9,12-14,16H2,1H3,(H2,31,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207354
(CHEMBL3961368)Show SMILES CS(=O)(=O)N1C\C=C\c2cccc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)c2 |t:6| Show InChI InChI=1S/C21H19F3N6O2S/c1-33(31,32)30-10-4-6-14-5-2-8-16(11-14)28-20-27-13-17(21(22,23)24)18(29-20)26-12-15-7-3-9-25-19(15)30/h2-9,11,13H,10,12H2,1H3,(H2,26,27,28,29)/b6-4+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207362
(CHEMBL3977870)Show SMILES CN1Cc2ccncc2N(C\C=C\c2cc(Nc3ncc(c1n3)C(F)(F)F)ccc2N1CCOCC1)S(C)(=O)=O |t:12| Show InChI InChI=1S/C26H28F3N7O3S/c1-34-17-19-7-8-30-16-23(19)36(40(2,37)38)9-3-4-18-14-20(5-6-22(18)35-10-12-39-13-11-35)32-25-31-15-21(24(34)33-25)26(27,28)29/h3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33)/b4-3+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207361
(CHEMBL3889951)Show SMILES CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23 Show InChI InChI=1S/C25H26F3N7O3S/c1-39(37,38)35-11-3-2-6-21(36)34-12-9-16-13-18(7-8-20(16)34)32-24-31-15-19(25(26,27)28)22(33-24)30-14-17-5-4-10-29-23(17)35/h4-5,7-8,10,13,15H,2-3,6,9,11-12,14H2,1H3,(H2,30,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 |
3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50207350
(CHEMBL3956954)Show SMILES CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5ccccc15)n4)C(F)(F)F)ccc23 Show InChI InChI=1S/C26H27F3N6O3S/c1-39(37,38)35-12-5-4-8-23(36)34-13-11-17-14-19(9-10-21(17)34)32-25-31-16-20(26(27,28)29)24(33-25)30-15-18-6-2-3-7-22(18)35/h2-3,6-7,9-10,14,16H,4-5,8,11-13,15H2,1H3,(H2,30,31,32,33) | 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 | 3.20 | 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)) | BDBM50207355
(CHEMBL3987106)Show SMILES CS(=O)(=O)N1CCCc2cc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)ccc2N1CCOCC1 Show InChI InChI=1S/C25H28F3N7O3S/c1-39(36,37)35-9-3-5-17-14-19(6-7-21(17)34-10-12-38-13-11-34)32-24-31-16-20(25(26,27)28)22(33-24)30-15-18-4-2-8-29-23(18)35/h2,4,6-8,14,16H,3,5,9-13,15H2,1H3,(H2,30,31,32,33) | 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 | 3.20 | 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)) | BDBM50207364
(CHEMBL3936048)Show SMILES CCS(=O)(=O)N(CCCCC(O)=O)c1ccccc1CNc1nc(Nc2ccc3NCCc3c2)ncc1C(F)(F)F Show InChI InChI=1S/C27H31F3N6O4S/c1-2-41(39,40)36(14-6-5-9-24(37)38)23-8-4-3-7-19(23)16-32-25-21(27(28,29)30)17-33-26(35-25)34-20-10-11-22-18(15-20)12-13-31-22/h3-4,7-8,10-11,15,17,31H,2,5-6,9,12-14,16H2,1H3,(H,37,38)(H2,32,33,34,35) | 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 | 3.30 | 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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207348
(CHEMBL3912281)Show SMILES FC(F)(F)c1cnc2Nc3ccc4N(CCc4c3)C(=O)CCCNS(=O)(=O)c3ncccc3CNc1n2 Show InChI InChI=1S/C23H22F3N7O3S/c24-23(25,26)17-13-29-22-31-16-5-6-18-14(11-16)7-10-33(18)19(34)4-2-9-30-37(35,36)21-15(3-1-8-27-21)12-28-20(17)32-22/h1,3,5-6,8,11,13,30H,2,4,7,9-10,12H2,(H2,28,29,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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)) | BDBM50207349
(CHEMBL3958414)Show SMILES CS(=O)(=O)N1C\C=C\c2cc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)ccc2N1CCOCC1 |t:6| Show InChI InChI=1S/C25H26F3N7O3S/c1-39(36,37)35-9-3-5-17-14-19(6-7-21(17)34-10-12-38-13-11-34)32-24-31-16-20(25(26,27)28)22(33-24)30-15-18-4-2-8-29-23(18)35/h2-8,14,16H,9-13,15H2,1H3,(H2,30,31,32,33)/b5-3+ | 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 | 4.30 | 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)) | BDBM50207356
(CHEMBL3969464)Show SMILES CN1Cc2cccnc2N(C\C=C\c2cc(Nc3ncc(c1n3)C(F)(F)F)ccc2N1CCOCC1)S(C)(=O)=O |t:12| Show InChI InChI=1S/C26H28F3N7O3S/c1-34-17-19-5-3-9-30-23(19)36(40(2,37)38)10-4-6-18-15-20(7-8-22(18)35-11-13-39-14-12-35)32-25-31-16-21(24(34)33-25)26(27,28)29/h3-9,15-16H,10-14,17H2,1-2H3,(H,31,32,33)/b6-4+ | 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 | 5.80 | 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)) | BDBM50207365
(CHEMBL3899046)Show SMILES CN1Cc2ccccc2N(CCCCC(=O)N2CCc3cc(Nc4ncc(c1n4)C(F)(F)F)ccc23)S(C)(=O)=O Show InChI InChI=1S/C27H29F3N6O3S/c1-34-17-19-7-3-4-8-23(19)36(40(2,38)39)13-6-5-9-24(37)35-14-12-18-15-20(10-11-22(18)35)32-26-31-16-21(25(34)33-26)27(28,29)30/h3-4,7-8,10-11,15-16H,5-6,9,12-14,17H2,1-2H3,(H,31,32,33) | 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 | 8.60 | 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)) | BDBM50207352
(CHEMBL3908093)Show SMILES CCS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5ccccc15)n4)C(F)(F)F)ccc23 Show InChI InChI=1S/C27H29F3N6O3S/c1-2-40(38,39)36-13-6-5-9-24(37)35-14-12-18-15-20(10-11-22(18)35)33-26-32-17-21(27(28,29)30)25(34-26)31-16-19-7-3-4-8-23(19)36/h3-4,7-8,10-11,15,17H,2,5-6,9,12-14,16H2,1H3,(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 | 9.20 | 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)) | BDBM50207354
(CHEMBL3961368)Show SMILES CS(=O)(=O)N1C\C=C\c2cccc(Nc3ncc(c(NCc4cccnc14)n3)C(F)(F)F)c2 |t:6| Show InChI InChI=1S/C21H19F3N6O2S/c1-33(31,32)30-10-4-6-14-5-2-8-16(11-14)28-20-27-13-17(21(22,23)24)18(29-20)26-12-15-7-3-9-25-19(15)30/h2-9,11,13H,10,12H2,1H3,(H2,26,27,28,29)/b6-4+ | 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 | 10 | 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)) | BDBM50207348
(CHEMBL3912281)Show SMILES FC(F)(F)c1cnc2Nc3ccc4N(CCc4c3)C(=O)CCCNS(=O)(=O)c3ncccc3CNc1n2 Show InChI InChI=1S/C23H22F3N7O3S/c24-23(25,26)17-13-29-22-31-16-5-6-18-14(11-16)7-10-33(18)19(34)4-2-9-30-37(35,36)21-15(3-1-8-27-21)12-28-20(17)32-22/h1,3,5-6,8,11,13,30H,2,4,7,9-10,12H2,(H2,28,29,31,32) | 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 | 11 | 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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50318884
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 |
3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50207362
(CHEMBL3977870)Show SMILES CN1Cc2ccncc2N(C\C=C\c2cc(Nc3ncc(c1n3)C(F)(F)F)ccc2N1CCOCC1)S(C)(=O)=O |t:12| Show InChI InChI=1S/C26H28F3N7O3S/c1-34-17-19-7-8-30-16-23(19)36(40(2,37)38)9-3-4-18-14-20(5-6-22(18)35-10-12-39-13-11-35)32-25-31-15-21(24(34)33-25)26(27,28)29/h3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33)/b4-3+ | 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 | 14 | 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)) | BDBM50207361
(CHEMBL3889951)Show SMILES CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23 Show InChI InChI=1S/C25H26F3N7O3S/c1-39(37,38)35-11-3-2-6-21(36)34-12-9-16-13-18(7-8-20(16)34)32-24-31-15-19(25(26,27)28)22(33-24)30-14-17-5-4-10-29-23(17)35/h4-5,7-8,10,13,15H,2-3,6,9,11-12,14H2,1H3,(H2,30,31,32,33) | 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 | 17 | 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 | |
Protein-tyrosine kinase 2-beta
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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)) | BDBM50207357
(CHEMBL3939286)Show SMILES CS(=O)(=O)N1Cc2cccc(c2)C(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23 Show InChI InChI=1S/C28H24F3N7O3S/c1-42(40,41)38-16-17-4-2-5-19(12-17)26(39)37-11-9-18-13-21(7-8-23(18)37)35-27-34-15-22(28(29,30)31)24(36-27)33-14-20-6-3-10-32-25(20)38/h2-8,10,12-13,15H,9,11,14,16H2,1H3,(H2,33,34,35,36) | 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 | 21 | 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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207357
(CHEMBL3939286)Show SMILES CS(=O)(=O)N1Cc2cccc(c2)C(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23 Show InChI InChI=1S/C28H24F3N7O3S/c1-42(40,41)38-16-17-4-2-5-19(12-17)26(39)37-11-9-18-13-21(7-8-23(18)37)35-27-34-15-22(28(29,30)31)24(36-27)33-14-20-6-3-10-32-25(20)38/h2-8,10,12-13,15H,9,11,14,16H2,1H3,(H2,33,34,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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)) | BDBM50207358
(CHEMBL3914036)Show SMILES CS(=O)(=O)N1CCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23 Show InChI InChI=1S/C24H24F3N7O3S/c1-38(36,37)34-10-3-5-20(35)33-11-8-15-12-17(6-7-19(15)33)31-23-30-14-18(24(25,26)27)21(32-23)29-13-16-4-2-9-28-22(16)34/h2,4,6-7,9,12,14H,3,5,8,10-11,13H2,1H3,(H2,29,30,31,32) | 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 | 27 | 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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207358
(CHEMBL3914036)Show SMILES CS(=O)(=O)N1CCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23 Show InChI InChI=1S/C24H24F3N7O3S/c1-38(36,37)34-10-3-5-20(35)33-11-8-15-12-17(6-7-19(15)33)31-23-30-14-18(24(25,26)27)21(32-23)29-13-16-4-2-9-28-22(16)34/h2,4,6-7,9,12,14H,3,5,8,10-11,13H2,1H3,(H2,29,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 | |
Protein-tyrosine kinase 2-beta
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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)) | BDBM50207360
(CHEMBL3927099)Show SMILES CN(Cc1ccccc1N(CCCCC(O)=O)S(C)(=O)=O)c1nc(Nc2ccc3NCCc3c2)ncc1C(F)(F)F Show InChI InChI=1S/C27H31F3N6O4S/c1-35(17-19-7-3-4-8-23(19)36(41(2,39)40)14-6-5-9-24(37)38)25-21(27(28,29)30)16-32-26(34-25)33-20-10-11-22-18(15-20)12-13-31-22/h3-4,7-8,10-11,15-16,31H,5-6,9,12-14,17H2,1-2H3,(H,37,38)(H,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 | 177 | 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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207360
(CHEMBL3927099)Show SMILES CN(Cc1ccccc1N(CCCCC(O)=O)S(C)(=O)=O)c1nc(Nc2ccc3NCCc3c2)ncc1C(F)(F)F Show InChI InChI=1S/C27H31F3N6O4S/c1-35(17-19-7-3-4-8-23(19)36(41(2,39)40)14-6-5-9-24(37)38)25-21(27(28,29)30)16-32-26(34-25)33-20-10-11-22-18(15-20)12-13-31-22/h3-4,7-8,10-11,15-16,31H,5-6,9,12-14,17H2,1-2H3,(H,37,38)(H,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207364
(CHEMBL3936048)Show SMILES CCS(=O)(=O)N(CCCCC(O)=O)c1ccccc1CNc1nc(Nc2ccc3NCCc3c2)ncc1C(F)(F)F Show InChI InChI=1S/C27H31F3N6O4S/c1-2-41(39,40)36(14-6-5-9-24(37)38)23-8-4-3-7-19(23)16-32-25-21(27(28,29)30)17-33-26(35-25)34-20-10-11-22-18(15-20)12-13-31-22/h3-4,7-8,10-11,15,17,31H,2,5-6,9,12-14,16H2,1H3,(H,37,38)(H2,32,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 256 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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 | |
Protein-tyrosine kinase 2-beta
(Homo sapiens (Human)) | BDBM50207363
(CHEMBL3898282)Show SMILES CN(Cc1ccncc1N(CC=C)S(C)(=O)=O)c1nc(Nc2ccc(N3CCOCC3)c(Br)c2)ncc1C(F)(F)F Show InChI InChI=1S/C26H29BrF3N7O3S/c1-4-9-37(41(3,38)39)23-16-31-8-7-18(23)17-35(2)24-20(26(28,29)30)15-32-25(34-24)33-19-5-6-22(21(27)14-19)36-10-12-40-13-11-36/h4-8,14-16H,1,9-13,17H2,2-3H3,(H,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells |
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)) | BDBM50207363
(CHEMBL3898282)Show SMILES CN(Cc1ccncc1N(CC=C)S(C)(=O)=O)c1nc(Nc2ccc(N3CCOCC3)c(Br)c2)ncc1C(F)(F)F Show InChI InChI=1S/C26H29BrF3N7O3S/c1-4-9-37(41(3,38)39)23-16-31-8-7-18(23)17-35(2)24-20(26(28,29)30)15-32-25(34-24)33-19-5-6-22(21(27)14-19)36-10-12-40-13-11-36/h4-8,14-16H,1,9-13,17H2,2-3H3,(H,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 | 7.50E+3 | 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 | |
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