Found 188 hits with Last Name = 'zherebina' and Initial = 'y' 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)) | 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)) | 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 | |
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 | |
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 | |
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 | |
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 | |
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)) | 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 | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368657
(US10227350, Compound 105 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of full length human His-tagged p110beta/p85alpha using PIP2 as substrate after 30 mins by TR-FRET assay |
J Med Chem 61: 6858-6868 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00797 BindingDB Entry DOI: 10.7270/Q27H1NVD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368657
(US10227350, Compound 105 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368625
(US10227350, Compound 113 | US10227350, Compound 11...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)| Show InChI InChI=1S/C25H14F2N8/c1-13-33-23-17(25-31-12-32-34-25)9-15(14-4-6-29-16(8-14)11-28)10-21(23)35(13)20-5-7-30-24-19(27)3-2-18(26)22(20)24/h2-10,12H,1H3,(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
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 | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM357385
(US10214519, Example 111)Show SMILES Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1 Show InChI InChI=1S/C22H18ClN7O/c23-17-3-1-2-15-18(4-5-24-20(15)17)30-13-26-21-16(22-25-12-27-28-22)10-14(11-19(21)30)29-6-8-31-9-7-29/h1-5,10-13H,6-9H2,(H,25,27,28) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50070322
(CHEMBL3408248 | US9718800, 3.06b)Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368657
(US10227350, Compound 105 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368657
(US10227350, Compound 105 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
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)) | 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)) | 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)) | 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 | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368625
(US10227350, Compound 113 | US10227350, Compound 11...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)| Show InChI InChI=1S/C25H14F2N8/c1-13-33-23-17(25-31-12-32-34-25)9-15(14-4-6-29-16(8-14)11-28)10-21(23)35(13)20-5-7-30-24-19(27)3-2-18(26)22(20)24/h2-10,12H,1H3,(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368625
(US10227350, Compound 113 | US10227350, Compound 11...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)| Show InChI InChI=1S/C25H14F2N8/c1-13-33-23-17(25-31-12-32-34-25)9-15(14-4-6-29-16(8-14)11-28)10-21(23)35(13)20-5-7-30-24-19(27)3-2-18(26)22(20)24/h2-10,12H,1H3,(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
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 | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50541951
(CHEMBL4634912)Show SMILES Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)-c1ccncc1)-c1nnc[nH]1 Show InChI InChI=1S/C23H14ClN7/c24-18-3-1-2-16-19(6-9-26-21(16)18)31-13-28-22-17(23-27-12-29-30-23)10-15(11-20(22)31)14-4-7-25-8-5-14/h1-13H,(H,27,29,30) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
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 | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368724
(US10227350, Compound 139 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)| Show InChI InChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368743
(US10227350, Compound 158)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(Cl)c1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)| Show InChI InChI=1S/C24H14ClF2N7/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(25)10-13)9-19(22)34(12)18-5-7-29-23-17(27)3-2-16(26)21(18)23/h2-11H,1H3,(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
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 | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368724
(US10227350, Compound 139 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)| Show InChI InChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368724
(US10227350, Compound 139 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)| Show InChI InChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368688
(US10227350, Compound 103 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H16F2N8/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(27)10-13)9-19(22)34(12)18-5-7-29-23-17(26)3-2-16(25)21(18)23/h2-11H,1H3,(H2,27,28)(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368626
(US10227350, Compound 141 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C25H17F2N7/c1-13-9-15(5-7-28-13)16-10-17(25-30-12-31-33-25)23-21(11-16)34(14(2)32-23)20-6-8-29-24-19(27)4-3-18(26)22(20)24/h3-12H,1-2H3,(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
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 | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368688
(US10227350, Compound 103 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H16F2N8/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(27)10-13)9-19(22)34(12)18-5-7-29-23-17(26)3-2-16(25)21(18)23/h2-11H,1H3,(H2,27,28)(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368626
(US10227350, Compound 141 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C25H17F2N7/c1-13-9-15(5-7-28-13)16-10-17(25-30-12-31-33-25)23-21(11-16)34(14(2)32-23)20-6-8-29-24-19(27)4-3-18(26)22(20)24/h3-12H,1-2H3,(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368688
(US10227350, Compound 103 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H16F2N8/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(27)10-13)9-19(22)34(12)18-5-7-29-23-17(26)3-2-16(25)21(18)23/h2-11H,1H3,(H2,27,28)(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368626
(US10227350, Compound 141 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C25H17F2N7/c1-13-9-15(5-7-28-13)16-10-17(25-30-12-31-33-25)23-21(11-16)34(14(2)32-23)20-6-8-29-24-19(27)4-3-18(26)22(20)24/h3-12H,1-2H3,(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
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 | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368687
(US10227350, Compound 102)Show SMILES Nc1nccc(-c2cc(-c3nnc[nH]3)c3ncn(-c4ccnc5c(F)ccc(F)c45)c3c2)c1F Show InChI InChI=1S/C23H13F3N8/c24-14-1-2-15(25)21-18(14)16(4-6-28-21)34-10-31-20-13(23-30-9-32-33-23)7-11(8-17(20)34)12-3-5-29-22(27)19(12)26/h1-10H,(H2,27,29)(H,30,32,33) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 full length human His-tagged p110beta/p85alpha using PIP2 as substrate after 30 mins by TR-FRET assay |
J Med Chem 61: 6858-6868 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00797 BindingDB Entry DOI: 10.7270/Q27H1NVD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368741
(US10227350, Compound 156)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)n1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)| Show InChI InChI=1S/C24H16F2N8/c1-12-27-7-5-18(31-12)14-9-15(24-29-11-30-33-24)22-20(10-14)34(13(2)32-22)19-6-8-28-23-17(26)4-3-16(25)21(19)23/h3-11H,1-2H3,(H,29,30,33) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM357385
(US10214519, Example 111)Show SMILES Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1 Show InChI InChI=1S/C22H18ClN7O/c23-17-3-1-2-15-18(4-5-24-20(15)17)30-13-26-21-16(22-25-12-27-28-22)10-14(11-19(21)30)29-6-8-31-9-7-29/h1-5,10-13H,6-9H2,(H,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J |
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 | |