Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'gaul' and Initial = 'n'   

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	Purchase 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 antibodypedia GoogleScholar AffyNet	Purchase 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	Purchase 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))	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	Purchase 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 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 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 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
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
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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	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
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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	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	Purchase 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
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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem 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
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 KEGG UniProtKB/SwissProt 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	Purchase 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	Purchase 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	Purchase 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
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	Purchase 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 1A2 (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 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 1A2 (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	>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 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 1A2 (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 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 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
Cytochrome P450 2C19 (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	>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
Cytochrome P450 2C19 (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 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 2D6 (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 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 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 2C8 (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 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 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 2C8 (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 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 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 2D6 (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 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 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