Compile Data Set for Download or QSAR

Found 293 hits with Last Name = 'bax' and Initial = 'bd'   

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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50172920 (3-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(pip...) Show SMILES Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1 Show InChI InChI=1S/C25H24ClN5O/c26-21-6-1-2-7-22(21)28-19-8-9-20-23(15-19)30-31-24(20)16-4-3-5-17(14-16)25(32)29-18-10-12-27-13-11-18/h1-9,14-15,18,27-28H,10-13H2,(H,29,32)(H,30,31)	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	1.26	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of JNK3 by high throughput screening				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50172920 (3-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(pip...) Show SMILES Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1 Show InChI InChI=1S/C25H24ClN5O/c26-21-6-1-2-7-22(21)28-19-8-9-20-23(15-19)30-31-24(20)16-4-3-5-17(14-16)25(32)29-18-10-12-27-13-11-18/h1-9,14-15,18,27-28H,10-13H2,(H,29,32)(H,30,31)	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	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of p38alpha by high throughput screening				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50178832 (CHEMBL203535 | N-(2'-(phenylamino)-4,4'-bipyridin-...) Show SMILES O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOC1 Show InChI InChI=1S/C21H20N4O2/c26-21(17-8-11-27-14-17)25-20-13-16(7-10-23-20)15-6-9-22-19(12-15)24-18-4-2-1-3-5-18/h1-7,9-10,12-13,17H,8,11,14H2,(H,22,24)(H,23,25,26)	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	6.31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of JNK3 by high throughput screening				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50510295 (CHEMBL4443422) Show SMILES Cc1sc(cc1C(=O)N[C@@H](CN)c1ccccc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C20H19ClN2OS/c1-13-16(11-19(25-13)15-9-5-6-10-17(15)21)20(24)23-18(12-22)14-7-3-2-4-8-14/h2-11,18H,12,22H2,1H3,(H,23,24)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...				Bioorg Med Chem Lett 29: 1407-1412 (2019) Article DOI: 10.1016/j.bmcl.2019.03.029 BindingDB Entry DOI: 10.7270/Q2NC64HZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50415616 (CHEMBL1087421) Show SMILES COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7| Show InChI InChI=1S/C16H12Cl3NO/c1-21-15-7-9-4-5-20-16(11(9)8-14(15)19)10-2-3-12(17)13(18)6-10/h2-3,6-8H,4-5H2,1H3	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	50.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal histidine-tagged human full length JNK3 by radiometric filter binding assay				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50172920 (3-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(pip...) Show SMILES Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1 Show InChI InChI=1S/C25H24ClN5O/c26-21-6-1-2-7-22(21)28-19-8-9-20-23(15-19)30-31-24(20)16-4-3-5-17(14-16)25(32)29-18-10-12-27-13-11-18/h1-9,14-15,18,27-28H,10-13H2,(H,29,32)(H,30,31)	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	79.4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of JNK1 by high throughput screening				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50334942 (1-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-in...) Show SMILES CC(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O/c1-10(22)11-6-8-12(9-7-11)21-14-5-3-2-4-13(14)15(20-21)16(17,18)19/h6-9H,2-5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8370 (N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]cyclopropan...) Show SMILES Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C17H15N3O2/c21-13-6-3-10(4-7-13)12-5-8-14-15(9-12)19-20-16(14)18-17(22)11-1-2-11/h3-9,11,21H,1-2H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP synthase				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50279327 (CHEMBL4165288) Show SMILES O=C(Nc1cc(cc2[nH]ncc12)-c1cccc2[nH]ccc12)c1ccccn1 Show InChI InChI=1S/C21H15N5O/c27-21(18-5-1-2-8-22-18)25-19-10-13(11-20-16(19)12-24-26-20)14-4-3-6-17-15(14)7-9-23-17/h1-12,23H,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate pretreated for 15 mins followed by substrate addition measured after 1 hr				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50415620 (CHEMBL1088633) Show SMILES COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7| Show InChI InChI=1S/C16H13Cl2NO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3	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	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal histidine-tagged human full length JNK3 by radiometric filter binding assay				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50279329 (CHEMBL4161596) Show SMILES Oc1ccc(cc1)-c1cc(NC(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C19H14N4O2/c24-14-6-4-12(5-7-14)13-9-17(15-11-21-23-18(15)10-13)22-19(25)16-3-1-2-8-20-16/h1-11,24H,(H,21,23)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using TAMRA-ERMRPRKRQGSVRRRV-NH2 as substrate pretreated for 30 mins followed by substrate addition measured afte...				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50510288 (CHEMBL4445556) Show SMILES NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C21H17ClN2O2/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(24-26-19)25-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...				Bioorg Med Chem Lett 29: 1407-1412 (2019) Article DOI: 10.1016/j.bmcl.2019.03.029 BindingDB Entry DOI: 10.7270/Q2NC64HZ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50510294 (CHEMBL4592805) Show SMILES NC(=N)NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C22H19ClN4O2/c23-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(27-29-19)28-20(13-26-22(24)25)14-6-2-1-3-7-14/h1-12,20H,13H2,(H4,24,25,26)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...				Bioorg Med Chem Lett 29: 1407-1412 (2019) Article DOI: 10.1016/j.bmcl.2019.03.029 BindingDB Entry DOI: 10.7270/Q2NC64HZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50178832 (CHEMBL203535 | N-(2'-(phenylamino)-4,4'-bipyridin-...) Show SMILES O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOC1 Show InChI InChI=1S/C21H20N4O2/c26-21(17-8-11-27-14-17)25-20-13-16(7-10-23-20)15-6-9-22-19(12-15)24-18-4-2-1-3-5-18/h1-7,9-10,12-13,17H,8,11,14H2,(H,22,24)(H,23,25,26)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of p38alpha by high throughput screening				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50334936 (CHEMBL1649665 | N-cyclopentyl-2-{4-[3-(trifluorome...) Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CC(=O)NC2CCCC2)cc1 Show InChI InChI=1S/C21H24F3N3O/c22-21(23,24)20-17-7-3-4-8-18(17)27(26-20)16-11-9-14(10-12-16)13-19(28)25-15-5-1-2-6-15/h9-12,15H,1-8,13H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50415620 (CHEMBL1088633) Show SMILES COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7| Show InChI InChI=1S/C16H13Cl2NO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3	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	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal His(6)-tagged truncated human JNK3 transfected in baculovirus expression system by fluorescence anisotropy				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50334935 (1-{4-[1-(1-pyrrolidinylcarbonyl)cyclopropyl]phenyl...) Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(cc1)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C22H24F3N3O/c23-22(24,25)19-17-5-1-2-6-18(17)28(26-19)16-9-7-15(8-10-16)21(11-12-21)20(29)27-13-3-4-14-27/h7-10H,1-6,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50279345 (CHEMBL4172211) Show SMILES Oc1ccc(cc1)-c1cc(NC(=O)C2CC2)c2cn[nH]c2c1 Show InChI InChI=1S/C17H15N3O2/c21-13-5-3-10(4-6-13)12-7-15(19-17(22)11-1-2-11)14-9-18-20-16(14)8-12/h3-9,11,21H,1-2H2,(H,18,20)(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using TAMRA-ERMRPRKRQGSVRRRV-NH2 as substrate pretreated for 30 mins followed by substrate addition measured afte...				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50415616 (CHEMBL1087421) Show SMILES COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7| Show InChI InChI=1S/C16H12Cl3NO/c1-21-15-7-9-4-5-20-16(11(9)8-14(15)19)10-2-3-12(17)13(18)6-10/h2-3,6-8H,4-5H2,1H3	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	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal His(6)-tagged truncated human JNK3 transfected in baculovirus expression system by fluorescence anisotropy				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50178832 (CHEMBL203535 | N-(2'-(phenylamino)-4,4'-bipyridin-...) Show SMILES O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOC1 Show InChI InChI=1S/C21H20N4O2/c26-21(17-8-11-27-14-17)25-20-13-16(7-10-23-20)15-6-9-22-19(12-15)24-18-4-2-1-3-5-18/h1-7,9-10,12-13,17H,8,11,14H2,(H,22,24)(H,23,25,26)	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	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of JNK1 by high throughput screening				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50415612 (CHEMBL1083185) Show SMILES COc1cc2CCN=C(c3cccc(Br)c3)c2cc1Cl |t:7| Show InChI InChI=1S/C16H13BrClNO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal His(6)-tagged truncated human JNK3 transfected in baculovirus expression system by fluorescence anisotropy				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50510286 (CHEMBL4467227) Show SMILES NCC(Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccn1 Show InChI InChI=1S/C20H16ClN3O2/c21-16-6-2-1-5-14(16)13-8-9-18-15(11-13)20(24-26-18)25-19(12-22)17-7-3-4-10-23-17/h1-11,19H,12,22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...				Bioorg Med Chem Lett 29: 1407-1412 (2019) Article DOI: 10.1016/j.bmcl.2019.03.029 BindingDB Entry DOI: 10.7270/Q2NC64HZ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50510292 (CHEMBL4471339) Show SMILES NC[C@H](Oc1noc2ncc(cc12)-c1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C20H16ClN3O2/c21-17-9-5-4-8-15(17)14-10-16-19(23-12-14)26-24-20(16)25-18(11-22)13-6-2-1-3-7-13/h1-10,12,18H,11,22H2/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...				Bioorg Med Chem Lett 29: 1407-1412 (2019) Article DOI: 10.1016/j.bmcl.2019.03.029 BindingDB Entry DOI: 10.7270/Q2NC64HZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50279329 (CHEMBL4161596) Show SMILES Oc1ccc(cc1)-c1cc(NC(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C19H14N4O2/c24-14-6-4-12(5-7-14)13-9-17(15-11-21-23-18(15)10-13)22-19(25)16-3-1-2-8-20-16/h1-11,24H,(H,21,23)(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate pretreated for 15 mins followed by substrate addition measured after 1 hr				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM8370 (N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]cyclopropan...) Show SMILES Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C17H15N3O2/c21-13-6-3-10(4-7-13)12-5-8-14-15(9-12)19-20-16(14)18-17(22)11-1-2-11/h3-9,11,21H,1-2H2,(H2,18,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using TAMRA-ERMRPRKRQGSVRRRV-NH2 as substrate pretreated for 30 mins followed by substrate addition measured afte...				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50323798 (CHEMBL1214336 | N-[5-(3-pyridinyl)-2,3-dihydro-1H-...) Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cccnc1 Show InChI InChI=1S/C17H20N2O2S/c1-12(2)22(20,21)19-17-9-14-6-5-13(8-16(14)10-17)15-4-3-7-18-11-15/h3-8,11-12,17,19H,9-10H2,1-2H3	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	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 after 10 mins				J Med Chem 53: 5801-12 (2010) Article DOI: 10.1021/jm1005429 BindingDB Entry DOI: 10.7270/Q2FT8N0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50415624 (CHEMBL1077129) Show SMILES COc1cc2CCN=C(c3cccc(Cl)c3F)c2cc1Cl |t:7| Show InChI InChI=1S/C16H12Cl2FNO/c1-21-14-7-9-5-6-20-16(11(9)8-13(14)18)10-3-2-4-12(17)15(10)19/h2-4,7-8H,5-6H2,1H3	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	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal His(6)-tagged truncated human JNK3 transfected in baculovirus expression system by fluorescence anisotropy				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50279345 (CHEMBL4172211) Show SMILES Oc1ccc(cc1)-c1cc(NC(=O)C2CC2)c2cn[nH]c2c1 Show InChI InChI=1S/C17H15N3O2/c21-13-5-3-10(4-6-13)12-7-15(19-17(22)11-1-2-11)14-9-18-20-16(14)8-12/h3-9,11,21H,1-2H2,(H,18,20)(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) after 1 hr by fluorescence polarization assay				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50334936 (CHEMBL1649665 | N-cyclopentyl-2-{4-[3-(trifluorome...) Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CC(=O)NC2CCCC2)cc1 Show InChI InChI=1S/C21H24F3N3O/c22-21(23,24)20-17-7-3-4-8-18(17)27(26-20)16-11-9-14(10-12-16)13-19(28)25-15-5-1-2-6-15/h9-12,15H,1-8,13H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50415616 (CHEMBL1087421) Show SMILES COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7| Show InChI InChI=1S/C16H12Cl3NO/c1-21-15-7-9-4-5-20-16(11(9)8-14(15)19)10-2-3-12(17)13(18)6-10/h2-3,6-8H,4-5H2,1H3	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	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal histidine-tagged human full length JNK2-alpha-2 by radiometric filter binding assay				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50415614 (CHEMBL1088053) Show SMILES COc1cc2CCN=C(c3ccc4ccccc4c3)c2cc1Cl |t:7| Show InChI InChI=1S/C20H16ClNO/c1-23-19-11-15-8-9-22-20(17(15)12-18(19)21)16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10-12H,8-9H2,1H3	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal His(6)-tagged truncated human JNK3 transfected in baculovirus expression system by fluorescence anisotropy				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50279347 (CHEMBL4163479) Show SMILES O=C(Nc1cc(cc2[nH]ncc12)-c1cccc2[nH]ccc12)C1CC1 Show InChI InChI=1S/C19H16N4O/c24-19(11-4-5-11)22-17-8-12(9-18-15(17)10-21-23-18)13-2-1-3-16-14(13)6-7-20-16/h1-3,6-11,20H,4-5H2,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate pretreated for 15 mins followed by substrate addition measured after 1 hr				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50334939 (1-({4-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-i...) Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CN2CCCC2=O)cc1 Show InChI InChI=1S/C19H20F3N3O/c20-19(21,22)18-15-4-1-2-5-16(15)25(23-18)14-9-7-13(8-10-14)12-24-11-3-6-17(24)26/h7-10H,1-6,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50334948 (CHEMBL1649654 | N-methyl-N-(2-phenylethyl)-4-[3-(t...) Show SMILES CN(CCc1ccccc1)C(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O/c1-29(16-15-17-7-3-2-4-8-17)23(31)18-11-13-19(14-12-18)30-21-10-6-5-9-20(21)22(28-30)24(25,26)27/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50334940 (1-{4-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]pheny...) Show SMILES CC(C(=O)N1CCCC1)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C21H24F3N3O/c1-14(20(28)26-12-4-5-13-26)15-8-10-16(11-9-15)27-18-7-3-2-6-17(18)19(25-27)21(22,23)24/h8-11,14H,2-7,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50415620 (CHEMBL1088633) Show SMILES COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7| Show InChI InChI=1S/C16H13Cl2NO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal histidine-tagged human full length JNK2-alpha-2 by radiometric filter binding assay				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50279328 (CHEMBL4176717) Show SMILES Oc1cccc(c1)-c1cc(NC(=O)C2CC2)c2cn[nH]c2c1 Show InChI InChI=1S/C17H15N3O2/c21-13-3-1-2-11(6-13)12-7-15(19-17(22)10-4-5-10)14-9-18-20-16(14)8-12/h1-3,6-10,21H,4-5H2,(H,18,20)(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) after 1 hr by fluorescence polarization assay				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50279329 (CHEMBL4161596) Show SMILES Oc1ccc(cc1)-c1cc(NC(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C19H14N4O2/c24-14-6-4-12(5-7-14)13-9-17(15-11-21-23-18(15)10-13)22-19(25)16-3-1-2-8-20-16/h1-11,24H,(H,21,23)(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate in presence of [gamma-33P]-ATP				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50279344 (CHEMBL4174177) Show SMILES Oc1cccc(c1)-c1cc(NC(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C19H14N4O2/c24-14-5-3-4-12(8-14)13-9-17(15-11-21-23-18(15)10-13)22-19(25)16-6-1-2-7-20-16/h1-11,24H,(H,21,23)(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) after 1 hr by fluorescence polarization assay				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50279344 (CHEMBL4174177) Show SMILES Oc1cccc(c1)-c1cc(NC(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C19H14N4O2/c24-14-5-3-4-12(8-14)13-9-17(15-11-21-23-18(15)10-13)22-19(25)16-6-1-2-7-20-16/h1-11,24H,(H,21,23)(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate pretreated for 15 mins followed by substrate addition measured after 1 hr				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50510293 (CHEMBL4528547) Show SMILES NC[C@H](Oc1noc2ccc(nc12)-c1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C20H16ClN3O2/c21-15-9-5-4-8-14(15)16-10-11-17-19(23-16)20(24-26-17)25-18(12-22)13-6-2-1-3-7-13/h1-11,18H,12,22H2/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...				Bioorg Med Chem Lett 29: 1407-1412 (2019) Article DOI: 10.1016/j.bmcl.2019.03.029 BindingDB Entry DOI: 10.7270/Q2NC64HZ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50510289 (CHEMBL4588294) Show SMILES NC[C@H](Oc1n[nH]c2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C21H18ClN3O/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(25-24-19)26-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2,(H,24,25)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...				Bioorg Med Chem Lett 29: 1407-1412 (2019) Article DOI: 10.1016/j.bmcl.2019.03.029 BindingDB Entry DOI: 10.7270/Q2NC64HZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50279344 (CHEMBL4174177) Show SMILES Oc1cccc(c1)-c1cc(NC(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C19H14N4O2/c24-14-5-3-4-12(8-14)13-9-17(15-11-21-23-18(15)10-13)22-19(25)16-6-1-2-7-20-16/h1-11,24H,(H,21,23)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using TAMRA-ERMRPRKRQGSVRRRV-NH2 as substrate pretreated for 30 mins followed by substrate addition measured afte...				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50415621 (CHEMBL1088634) Show SMILES COc1cc2CCN=C(c3cccc(C)c3)c2cc1Cl |t:7| Show InChI InChI=1S/C17H16ClNO/c1-11-4-3-5-13(8-11)17-14-10-15(18)16(20-2)9-12(14)6-7-19-17/h3-5,8-10H,6-7H2,1-2H3	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal His(6)-tagged truncated human JNK3 transfected in baculovirus expression system by fluorescence anisotropy				Bioorg Med Chem Lett 19: 2230-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.098 BindingDB Entry DOI: 10.7270/Q2Z320WR
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50334937 (1-({2-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrah...) Show SMILES Fc1cc(ccc1CN1CCCC1=O)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C19H19F4N3O/c20-15-10-13(8-7-12(15)11-25-9-3-6-17(25)27)26-16-5-2-1-4-14(16)18(24-26)19(21,22)23/h7-8,10H,1-6,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50334949 (1-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-in...) Show SMILES CC(=O)Cc1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O/c1-11(23)10-12-6-8-13(9-7-12)22-15-5-3-2-4-14(15)16(21-22)17(18,19)20/h6-9H,2-5,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50334947 (CHEMBL1649655 | N,N-dimethyl-4-[3-(trifluoromethyl...) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F Show InChI InChI=1S/C16H18F3N3O2S/c1-21(2)25(23,24)12-9-7-11(8-10-12)22-14-6-4-3-5-13(14)15(20-22)16(17,18)19/h7-10H,3-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50510287 (CHEMBL4468900) Show SMILES NC[C@@H](c1ccccc1)n1cnc2c(csc2c1=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C20H16ClN3OS/c21-16-9-5-4-8-14(16)15-11-26-19-18(15)23-12-24(20(19)25)17(10-22)13-6-2-1-3-7-13/h1-9,11-12,17H,10,22H2/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...				Bioorg Med Chem Lett 29: 1407-1412 (2019) Article DOI: 10.1016/j.bmcl.2019.03.029 BindingDB Entry DOI: 10.7270/Q2NC64HZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50279327 (CHEMBL4165288) Show SMILES O=C(Nc1cc(cc2[nH]ncc12)-c1cccc2[nH]ccc12)c1ccccn1 Show InChI InChI=1S/C21H15N5O/c27-21(18-5-1-2-8-22-18)25-19-10-13(11-20-16(19)12-24-26-20)14-4-3-6-17-15(14)7-9-23-17/h1-12,23H,(H,24,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using TAMRA-ERMRPRKRQGSVRRRV-NH2 as substrate pretreated for 30 mins followed by substrate addition measured afte...				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50279328 (CHEMBL4176717) Show SMILES Oc1cccc(c1)-c1cc(NC(=O)C2CC2)c2cn[nH]c2c1 Show InChI InChI=1S/C17H15N3O2/c21-13-3-1-2-11(6-13)12-7-15(19-17(22)10-4-5-10)14-9-18-20-16(14)8-12/h1-3,6-10,21H,4-5H2,(H,18,20)(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using TAMRA-ERMRPRKRQGSVRRRV-NH2 as substrate pretreated for 30 mins followed by substrate addition measured afte...				ACS Med Chem Lett 8: 1093-1098 (2017) Article DOI: 10.1021/acsmedchemlett.7b00296 BindingDB Entry DOI: 10.7270/Q28S4SDF
					More data for this Ligand-Target Pair

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