Found 61 hits with Last Name = 'ralph' and Initial = 'j' 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 |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396534
(CHEMBL2171124)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442165
(CHEMBL2441341)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H19F3N6O/c1-31-11-16(20-21(27)28-12-29-22(20)31)13-5-6-17-14(9-13)7-8-32(17)19(33)10-15-3-2-4-18(30-15)23(24,25)26/h2-6,9,11-12H,7-8,10H2,1H3,(H2,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442162
(CHEMBL2441342)Show SMILES Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H18F4N6O/c1-32-10-15(19-21(28)29-11-30-22(19)32)13-5-6-16-14(20(13)24)7-8-33(16)18(34)9-12-3-2-4-17(31-12)23(25,26)27/h2-6,10-11H,7-9H2,1H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442166
(CHEMBL2441340)Show SMILES Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27) | PDB
UniProtKB/SwissProt
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CHEMBL MCE 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 |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442164
(CHEMBL2441345)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)n1 Show InChI InChI=1S/C22H23N7O/c1-13-8-14(2)29(26-13)11-19(30)28-7-6-16-9-15(4-5-18(16)28)17-10-27(3)22-20(17)21(23)24-12-25-22/h4-5,8-10,12H,6-7,11H2,1-3H3,(H2,23,24,25) | 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 |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442167
(CHEMBL2441339)Show SMILES Cc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)n1 Show InChI InChI=1S/C23H22N6O/c1-14-4-3-5-17(27-14)11-20(30)29-9-8-16-10-15(6-7-19(16)29)18-12-28(2)23-21(18)22(24)25-13-26-23/h3-7,10,12-13H,8-9,11H2,1-2H3,(H2,24,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | 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 |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442168
(CHEMBL2441344)Show SMILES Cc1ccnn1CC(=O)N1CCc2cc(ccc12)-c1cn(C)c2ncnc(N)c12 Show InChI InChI=1S/C21H21N7O/c1-13-5-7-25-28(13)11-18(29)27-8-6-15-9-14(3-4-17(15)27)16-10-26(2)21-19(16)20(22)23-12-24-21/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442172
(CHEMBL2441336)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccccn2)c2c(N)ncnc12 Show InChI InChI=1S/C22H20N6O/c1-27-12-17(20-21(23)25-13-26-22(20)27)14-5-6-18-15(10-14)7-9-28(18)19(29)11-16-4-2-3-8-24-16/h2-6,8,10,12-13H,7,9,11H2,1H3,(H2,23,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442171
(CHEMBL2441337)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccnc2)c2c(N)ncnc12 Show InChI InChI=1S/C22H20N6O/c1-27-12-17(20-21(23)25-13-26-22(20)27)15-4-5-18-16(10-15)6-8-28(18)19(29)9-14-3-2-7-24-11-14/h2-5,7,10-13H,6,8-9H2,1H3,(H2,23,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442165
(CHEMBL2441341)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H19F3N6O/c1-31-11-16(20-21(27)28-12-29-22(20)31)13-5-6-17-14(9-13)7-8-32(17)19(33)10-15-3-2-4-18(30-15)23(24,25)26/h2-6,9,11-12H,7-8,10H2,1H3,(H2,27,28,29) | 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 |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cells preincubated for 1 hr followed by thapsigargin-induction measured ... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | 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 |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cells preincubated for 1 hr followed by thapsigargin-induction measured ... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442166
(CHEMBL2441340)Show SMILES Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE 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 |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cells preincubated for 1 hr followed by thapsigargin-induction measured ... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 1
(Homo sapiens (Human)) | BDBM50442162
(CHEMBL2441342)Show SMILES Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H18F4N6O/c1-32-10-15(19-21(28)29-11-30-22(19)32)13-5-6-16-14(20(13)24)7-8-33(16)18(34)9-12-3-2-4-17(31-12)23(25,26)27/h2-6,10-11H,7-9H2,1H3,(H2,28,29,30) | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of HRI (unknown origin) assessed as EIF2AK1 phosphorylation |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442169
(CHEMBL2441343)Show SMILES Cc1ccn(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)n1 Show InChI InChI=1S/C21H21N7O/c1-13-5-7-27(25-13)11-18(29)28-8-6-15-9-14(3-4-17(15)28)16-10-26(2)21-19(16)20(22)23-12-24-21/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 1
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of HRI (unknown origin) assessed as EIF2AK1 phosphorylation |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442170
(CHEMBL2441338)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccncc2)c2c(N)ncnc12 Show InChI InChI=1S/C22H20N6O/c1-27-12-17(20-21(23)25-13-26-22(20)27)15-2-3-18-16(11-15)6-9-28(18)19(29)10-14-4-7-24-8-5-14/h2-5,7-8,11-13H,6,9-10H2,1H3,(H2,23,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Interferon-induced, double-stranded RNA-activated protein kinase
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of PKR (unknown origin) assessed as EIF2AK2 phosphorylation |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442167
(CHEMBL2441339)Show SMILES Cc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)n1 Show InChI InChI=1S/C23H22N6O/c1-14-4-3-5-17(27-14)11-20(30)29-9-8-16-10-15(6-7-19(16)29)18-12-28(2)23-21(18)22(24)25-13-26-23/h3-7,10,12-13H,8-9,11H2,1-2H3,(H2,24,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cells preincubated for 1 hr followed by thapsigargin-induction measured ... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442164
(CHEMBL2441345)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)n1 Show InChI InChI=1S/C22H23N7O/c1-13-8-14(2)29(26-13)11-19(30)28-7-6-16-9-15(4-5-18(16)28)17-10-27(3)22-20(17)21(23)24-12-25-22/h4-5,8-10,12H,6-7,11H2,1-3H3,(H2,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cells preincubated for 1 hr followed by thapsigargin-induction measured ... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399443
(CHEMBL2179385)Show InChI InChI=1S/C15H13ClFN3O3S/c1-20-8-9-6-11(3-4-13(9)18-15(20)21)19-24(22,23)14-5-2-10(17)7-12(14)16/h2-7,19H,8H2,1H3,(H,18,21) | PDB
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| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399442
(CHEMBL2179386)Show InChI InChI=1S/C16H17N3O3S/c1-11-5-3-4-6-15(11)23(21,22)18-13-7-8-14-12(9-13)10-19(2)16(20)17-14/h3-9,18H,10H2,1-2H3,(H,17,20) | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399434
(CHEMBL2179387)Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20) | PDB
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| PDB Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interferon-induced, double-stranded RNA-activated protein kinase
(Homo sapiens (Human)) | BDBM50442162
(CHEMBL2441342)Show SMILES Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H18F4N6O/c1-32-10-15(19-21(28)29-11-30-22(19)32)13-5-6-16-14(20(13)24)7-8-33(16)18(34)9-12-3-2-4-17(31-12)23(25,26)27/h2-6,10-11H,7-9H2,1H3,(H2,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 359 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of PKR (unknown origin) assessed as EIF2AK2 phosphorylation |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399441
(CHEMBL2179388)Show InChI InChI=1S/C15H14FN3O3S/c1-19-9-10-8-11(6-7-13(10)17-15(19)20)18-23(21,22)14-5-3-2-4-12(14)16/h2-8,18H,9H2,1H3,(H,17,20) | PDB
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399440
(CHEMBL2179389)Show InChI InChI=1S/C16H17N3O3S/c1-11-3-6-14(7-4-11)23(21,22)18-13-5-8-15-12(9-13)10-19(2)16(20)17-15/h3-9,18H,10H2,1-2H3,(H,17,20) | PDB
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| Article PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 1
(Homo sapiens (Human)) | BDBM50442166
(CHEMBL2441340)Show SMILES Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27) | KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of HRI (unknown origin) assessed as EIF2AK1 phosphorylation |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399439
(CHEMBL2179390)Show SMILES CN1Cc2cc(NS(=O)(=O)c3ccccc3C(F)(F)F)ccc2NC1=O Show InChI InChI=1S/C16H14F3N3O3S/c1-22-9-10-8-11(6-7-13(10)20-15(22)23)21-26(24,25)14-5-3-2-4-12(14)16(17,18)19/h2-8,21H,9H2,1H3,(H,20,23) | PDB
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| Article PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399438
(CHEMBL2179391)Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-8-12(6-7-15(11)17-16(19)20)18-24(21,22)14-5-3-4-13(9-14)23-2/h3-9,18H,10H2,1-2H3,(H,17,20) | PDB
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| Article PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50442162
(CHEMBL2441342)Show SMILES Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H18F4N6O/c1-32-10-15(19-21(28)29-11-30-22(19)32)13-5-6-16-14(20(13)24)7-8-33(16)18(34)9-12-3-2-4-17(31-12)23(25,26)27/h2-6,10-11H,7-9H2,1H3,(H2,28,29,30) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GCN2 (unknown origin) assessed as EIF2AK4 phosphorylation |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399436
(CHEMBL2179379)Show InChI InChI=1S/C15H15N3O3S/c1-18-10-11-9-12(7-8-14(11)16-15(18)19)17-22(20,21)13-5-3-2-4-6-13/h2-9,17H,10H2,1H3,(H,16,19) | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399437
(CHEMBL2179378)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(3-8-15(11)17-16(19)20)18-24(21,22)14-6-4-13(23-2)5-7-14/h3-9,18H,10H2,1-2H3,(H,17,20) | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50396534
(CHEMBL2171124)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30) | PDB
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| Article PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Interferon-induced, double-stranded RNA-activated protein kinase
(Homo sapiens (Human)) | BDBM50442166
(CHEMBL2441340)Show SMILES Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 905 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of PKR (unknown origin) assessed as EIF2AK2 phosphorylation |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399445
(CHEMBL2179383)Show InChI InChI=1S/C11H15N3O3S/c1-3-12-18(16,17)9-4-5-10-8(6-9)7-14(2)11(15)13-10/h4-6,12H,3,7H2,1-2H3,(H,13,15) | PDB
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Similars
| PDB Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399435
(CHEMBL2179380)Show InChI InChI=1S/C16H14N4O3S/c1-20-10-12-8-13(4-7-15(12)18-16(20)21)19-24(22,23)14-5-2-11(9-17)3-6-14/h2-8,19H,10H2,1H3,(H,18,21) | PDB
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50442166
(CHEMBL2441340)Show SMILES Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27) | PDB MMDB
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GCN2 (unknown origin) assessed as EIF2AK4 phosphorylation |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399444
(CHEMBL2179384)Show InChI InChI=1S/C15H15N3O3S/c1-18-10-11-9-13(7-8-14(11)16-15(18)19)22(20,21)17-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,19) | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50396534
(CHEMBL2171124)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399446
(CHEMBL2179382)Show InChI InChI=1S/C13H17N3O3S/c1-15-9-10-8-11(4-5-12(10)14-13(15)17)20(18,19)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17) | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50442162
(CHEMBL2441342)Show SMILES Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H18F4N6O/c1-32-10-15(19-21(28)29-11-30-22(19)32)13-5-6-16-14(20(13)24)7-8-33(16)18(34)9-12-3-2-4-17(31-12)23(25,26)27/h2-6,10-11H,7-9H2,1H3,(H2,28,29,30) | PDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50396534
(CHEMBL2171124)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50442162
(CHEMBL2441342)Show SMILES Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H18F4N6O/c1-32-10-15(19-21(28)29-11-30-22(19)32)13-5-6-16-14(20(13)24)7-8-33(16)18(34)9-12-3-2-4-17(31-12)23(25,26)27/h2-6,10-11H,7-9H2,1H3,(H2,28,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50396534
(CHEMBL2171124)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50396534
(CHEMBL2171124)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50399447
(CHEMBL2179381)Show InChI InChI=1S/C9H9BrN2O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-4H,5H2,1H3,(H,11,13) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BRD4 isoform 1 by AlphaScreen assay |
J Med Chem 55: 9831-7 (2012)
Article DOI: 10.1021/jm3010515 BindingDB Entry DOI: 10.7270/Q20C4WXS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50442162
(CHEMBL2441342)Show SMILES Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H18F4N6O/c1-32-10-15(19-21(28)29-11-30-22(19)32)13-5-6-16-14(20(13)24)7-8-33(16)18(34)9-12-3-2-4-17(31-12)23(25,26)27/h2-6,10-11H,7-9H2,1H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50442166
(CHEMBL2441340)Show SMILES Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50442166
(CHEMBL2441340)Show SMILES Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |