Compile Data Set for Download or QSAR

Found 178 hits Enz. Inhib. hit(s) with all data for entry = 50041903   

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
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28661 (2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...) Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418124 (CHEMBL1760428) Show SMILES CCCCN(c1cccc(-c2ccc(cc2)C(F)(F)F)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H29ClF3NO5S/c1-5-6-16-33(39(36,37)25-15-14-24(17(2)18(25)3)38-19(4)27(34)35)23-9-7-8-22(26(23)29)20-10-12-21(13-11-20)28(30,31)32/h7-15,19H,5-6,16H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418148 (CHEMBL1760411) Show SMILES CCCCN(c1cccc(c1Cl)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C27H29Cl2NO5S/c1-5-6-16-30(23-9-7-8-22(26(23)29)20-10-12-21(28)13-11-20)36(33,34)25-15-14-24(17(2)18(25)3)35-19(4)27(31)32/h7-15,19H,5-6,16H2,1-4H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418129 (CHEMBL1760268) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCC(O)=O)c(C)c1C Show InChI InChI=1S/C27H30ClNO5S/c1-5-6-16-29(24-9-7-8-23(20(24)4)21-10-12-22(28)13-11-21)35(32,33)26-15-14-25(18(2)19(26)3)34-17-27(30)31/h7-15H,5-6,16-17H2,1-4H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418161 (CHEMBL1760424) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C29H32F3NO5S/c1-6-7-17-33(39(36,37)27-16-15-26(18(2)19(27)3)38-21(5)28(34)35)25-10-8-9-24(20(25)4)22-11-13-23(14-12-22)29(30,31)32/h8-16,21H,6-7,17H2,1-5H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418123 (CHEMBL1760005) Show SMILES CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H29ClF3NO6S/c1-5-6-16-33(40(36,37)25-15-14-24(17(2)18(25)3)38-19(4)27(34)35)23-9-7-8-22(26(23)29)20-10-12-21(13-11-20)39-28(30,31)32/h7-15,19H,5-6,16H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418135 (CHEMBL1760274) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(c1)C1CCCCC1 Show InChI InChI=1S/C32H38ClNO5S/c1-4-5-20-34(30-13-9-12-28(22(30)2)25-14-16-26(33)17-15-25)40(37,38)27-18-19-31(39-23(3)32(35)36)29(21-27)24-10-7-6-8-11-24/h9,12-19,21,23-24H,4-8,10-11,20H2,1-3H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418149 (CHEMBL1760412) Show SMILES CCCCN(c1cccc(-c2ccc(Cl)cc2)c1OC)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H32ClNO6S/c1-6-7-17-30(24-10-8-9-23(27(24)35-5)21-11-13-22(29)14-12-21)37(33,34)26-16-15-25(18(2)19(26)3)36-20(4)28(31)32/h8-16,20H,6-7,17H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418134 (CHEMBL1760273) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(O[C@H](C)C(O)=O)c(C)c1C |r| Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-17-30(25-10-8-9-24(20(25)4)22-11-13-23(29)14-12-22)36(33,34)27-16-15-26(18(2)19(27)3)35-21(5)28(31)32/h8-16,21H,6-7,17H2,1-5H3,(H,31,32)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418128 (CHEMBL1760267) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-17-30(25-10-8-9-24(20(25)4)22-11-13-23(29)14-12-22)36(33,34)27-16-15-26(18(2)19(27)3)35-21(5)28(31)32/h8-16,21H,6-7,17H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418130 (CHEMBL1760269) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(CC)C(O)=O)c(C)c1C Show InChI InChI=1S/C29H34ClNO5S/c1-6-8-18-31(25-11-9-10-24(21(25)5)22-12-14-23(30)15-13-22)37(34,35)28-17-16-27(19(3)20(28)4)36-26(7-2)29(32)33/h9-17,26H,6-8,18H2,1-5H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418150 (CHEMBL1760413) Show SMILES CCCCN(c1cc(cc(c1)C(F)(F)F)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H29ClF3NO5S/c1-5-6-13-33(39(36,37)26-12-11-25(17(2)18(26)3)38-19(4)27(34)35)24-15-21(14-22(16-24)28(30,31)32)20-7-9-23(29)10-8-20/h7-12,14-16,19H,5-6,13H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418136 (CHEMBL1760399) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C26H26Cl3NO5S/c1-4-5-15-30(21-8-6-7-20(16(21)2)18-9-11-19(27)12-10-18)36(33,34)23-14-13-22(24(28)25(23)29)35-17(3)26(31)32/h6-14,17H,4-5,15H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418162 (CHEMBL1760425) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C29H32F3NO6S/c1-6-7-17-33(40(36,37)27-16-15-26(18(2)19(27)3)38-21(5)28(34)35)25-10-8-9-24(20(25)4)22-11-13-23(14-12-22)39-29(30,31)32/h8-16,21H,6-7,17H2,1-5H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418125 (CHEMBL1760426) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(C)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C29H35NO5S/c1-7-8-18-30(26-11-9-10-25(22(26)5)24-14-12-19(2)13-15-24)36(33,34)28-17-16-27(20(3)21(28)4)35-23(6)29(31)32/h9-17,23H,7-8,18H2,1-6H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418126 (CHEMBL1760427) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C29H35NO6S/c1-7-8-18-30(26-11-9-10-25(21(26)4)23-12-14-24(35-6)15-13-23)37(33,34)28-17-16-27(19(2)20(28)3)36-22(5)29(31)32/h9-17,22H,7-8,18H2,1-6H3,(H,31,32)	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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418159 (CHEMBL1760422) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H31Cl2NO5S/c1-6-7-15-31(25-10-8-9-22(19(25)4)21-11-12-23(29)24(30)16-21)37(34,35)27-14-13-26(17(2)18(27)3)36-20(5)28(32)33/h8-14,16,20H,6-7,15H2,1-5H3,(H,32,33)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418142 (CHEMBL1760405) Show SMILES CCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C27H30ClNO5S/c1-6-16-29(24-9-7-8-23(19(24)4)21-10-12-22(28)13-11-21)35(32,33)26-15-14-25(17(2)18(26)3)34-20(5)27(30)31/h7-15,20H,6,16H2,1-5H3,(H,30,31)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418132 (CHEMBL1760271) Show SMILES CCCCC(Oc1ccc(c(C)c1C)S(=O)(=O)N(CCCC)c1cccc(c1C)-c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C31H38ClNO5S/c1-6-8-13-29(31(34)35)38-28-18-19-30(22(4)21(28)3)39(36,37)33(20-9-7-2)27-12-10-11-26(23(27)5)24-14-16-25(32)17-15-24/h10-12,14-19,29H,6-9,13,20H2,1-5H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418131 (CHEMBL1760270) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(CCC)C(O)=O)c(C)c1C Show InChI InChI=1S/C30H36ClNO5S/c1-6-8-19-32(26-12-9-11-25(22(26)5)23-13-15-24(31)16-14-23)38(35,36)29-18-17-27(20(3)21(29)4)37-28(10-7-2)30(33)34/h9,11-18,28H,6-8,10,19H2,1-5H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418137 (CHEMBL1760400) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(OC)c1Cl Show InChI InChI=1S/C27H29Cl2NO6S/c1-5-6-16-30(22-9-7-8-21(17(22)2)19-10-12-20(28)13-11-19)37(33,34)24-15-14-23(26(35-4)25(24)29)36-18(3)27(31)32/h7-15,18H,5-6,16H2,1-4H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418151 (CHEMBL1760414) Show SMILES CCCCN(c1ccc(F)c(c1)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C27H29ClFNO5S/c1-5-6-15-30(22-11-12-24(29)23(16-22)20-7-9-21(28)10-8-20)36(33,34)26-14-13-25(17(2)18(26)3)35-19(4)27(31)32/h7-14,16,19H,5-6,15H2,1-4H3,(H,31,32)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418138 (CHEMBL1760401) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(F)c1Cl Show InChI InChI=1S/C26H26Cl2FNO5S/c1-4-5-15-30(21-8-6-7-20(16(21)2)18-9-11-19(27)12-10-18)36(33,34)23-14-13-22(25(29)24(23)28)35-17(3)26(31)32/h6-14,17H,4-5,15H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418152 (CHEMBL1760415) Show SMILES CCCCN(c1ccc(C)c(c1)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-16-30(24-13-8-18(2)25(17-24)22-9-11-23(29)12-10-22)36(33,34)27-15-14-26(19(3)20(27)4)35-21(5)28(31)32/h8-15,17,21H,6-7,16H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418146 (CHEMBL1760409) Show SMILES COCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C27H30ClNO6S/c1-17-18(2)26(14-13-25(17)35-20(4)27(30)31)36(32,33)29(15-16-34-5)24-8-6-7-23(19(24)3)21-9-11-22(28)12-10-21/h6-14,20H,15-16H2,1-5H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418139 (CHEMBL1760402) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(F)c1OC Show InChI InChI=1S/C27H29ClFNO6S/c1-5-6-16-30(22-9-7-8-21(17(22)2)19-10-12-20(28)13-11-19)37(33,34)24-15-14-23(25(29)26(24)35-4)36-18(3)27(31)32/h7-15,18H,5-6,16H2,1-4H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418158 (CHEMBL1760421) Show SMILES CCCCN(c1cccc(c1C)-c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-16-30(25-13-9-12-24(20(25)4)22-10-8-11-23(29)17-22)36(33,34)27-15-14-26(18(2)19(27)3)35-21(5)28(31)32/h8-15,17,21H,6-7,16H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418140 (CHEMBL1760403) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(F)c1F Show InChI InChI=1S/C26H26ClF2NO5S/c1-4-5-15-30(21-8-6-7-20(16(21)2)18-9-11-19(27)12-10-18)36(33,34)23-14-13-22(24(28)25(23)29)35-17(3)26(31)32/h6-14,17H,4-5,15H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418133 (CHEMBL1760272) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(O[C@@H](C)C(O)=O)c(C)c1C |r| Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-17-30(25-10-8-9-24(20(25)4)22-11-13-23(29)14-12-22)36(33,34)27-16-15-26(18(2)19(27)3)35-21(5)28(31)32/h8-16,21H,6-7,17H2,1-5H3,(H,31,32)/t21-/m0/s1	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418143 (CHEMBL1760406) Show SMILES CCCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C29H34ClNO5S/c1-6-7-8-18-31(26-11-9-10-25(21(26)4)23-12-14-24(30)15-13-23)37(34,35)28-17-16-27(19(2)20(28)3)36-22(5)29(32)33/h9-17,22H,6-8,18H2,1-5H3,(H,32,33)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50418123 (CHEMBL1760005) Show SMILES CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H29ClF3NO6S/c1-5-6-16-33(40(36,37)25-15-14-24(17(2)18(25)3)38-19(4)27(34)35)23-9-7-8-22(26(23)29)20-10-12-21(13-11-20)39-28(30,31)32/h7-15,19H,5-6,16H2,1-4H3,(H,34,35)	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	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50418124 (CHEMBL1760428) Show SMILES CCCCN(c1cccc(-c2ccc(cc2)C(F)(F)F)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H29ClF3NO5S/c1-5-6-16-33(39(36,37)25-15-14-24(17(2)18(25)3)38-19(4)27(34)35)23-9-7-8-22(26(23)29)20-10-12-21(13-11-20)28(30,31)32/h7-15,19H,5-6,16H2,1-4H3,(H,34,35)	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	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418145 (CHEMBL1760408) Show SMILES CC(Oc1ccc(c(C)c1C)S(=O)(=O)N(CC1CC1)c1cccc(c1C)-c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C28H30ClNO5S/c1-17-18(2)27(15-14-26(17)35-20(4)28(31)32)36(33,34)30(16-21-8-9-21)25-7-5-6-24(19(25)3)22-10-12-23(29)13-11-22/h5-7,10-15,20-21H,8-9,16H2,1-4H3,(H,31,32)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418144 (CHEMBL1760407) Show SMILES CC(Oc1ccc(c(C)c1C)S(=O)(=O)N(CC1CCC1)c1cccc(c1C)-c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C29H32ClNO5S/c1-18-19(2)28(16-15-27(18)36-21(4)29(32)33)37(34,35)31(17-22-7-5-8-22)26-10-6-9-25(20(26)3)23-11-13-24(30)14-12-23/h6,9-16,21-22H,5,7-8,17H2,1-4H3,(H,32,33)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418147 (CHEMBL1760410) Show SMILES CC(Oc1ccc(c(C)c1C)S(=O)(=O)N(CCCC(F)(F)F)c1cccc(c1C)-c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C28H29ClF3NO5S/c1-17-18(2)26(14-13-25(17)38-20(4)27(34)35)39(36,37)33(16-6-15-28(30,31)32)24-8-5-7-23(19(24)3)21-9-11-22(29)12-10-21/h5,7-14,20H,6,15-16H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418127 (CHEMBL1760266) Show SMILES CC(C)CCN(c1cccc(c1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(OCC(O)=O)c(C)c1 Show InChI InChI=1S/C27H28F3NO5S/c1-18(2)13-14-31(37(34,35)24-11-12-25(19(3)15-24)36-17-26(32)33)23-6-4-5-21(16-23)20-7-9-22(10-8-20)27(28,29)30/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418154 (CHEMBL1760417) Show SMILES CCCCN(c1cc(ccc1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-16-30(25-17-23(9-8-18(25)2)22-10-12-24(29)13-11-22)36(33,34)27-15-14-26(19(3)20(27)4)35-21(5)28(31)32/h8-15,17,21H,6-7,16H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418160 (CHEMBL1760423) Show SMILES CCCCN(c1cccc(c1C)-c1ccccc1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-17-30(25-14-10-12-22(20(25)4)23-11-8-9-13-24(23)29)36(33,34)27-16-15-26(18(2)19(27)3)35-21(5)28(31)32/h8-16,21H,6-7,17H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418155 (CHEMBL1760418) Show SMILES CCCCN(c1cc(c(F)cc1F)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C27H28ClF2NO5S/c1-5-6-13-31(24-14-21(22(29)15-23(24)30)19-7-9-20(28)10-8-19)37(34,35)26-12-11-25(16(2)17(26)3)36-18(4)27(32)33/h7-12,14-15,18H,5-6,13H2,1-4H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARgamma by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418151 (CHEMBL1760414) Show SMILES CCCCN(c1ccc(F)c(c1)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C27H29ClFNO5S/c1-5-6-15-30(22-11-12-24(29)23(16-22)20-7-9-21(28)10-8-20)36(33,34)26-14-13-25(17(2)18(26)3)35-19(4)27(31)32/h7-14,16,19H,5-6,15H2,1-4H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARgamma by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28661 (2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...) Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARalpha by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418129 (CHEMBL1760268) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCC(O)=O)c(C)c1C Show InChI InChI=1S/C27H30ClNO5S/c1-5-6-16-29(24-9-7-8-23(20(24)4)21-10-12-22(28)13-11-21)35(32,33)26-15-14-25(18(2)19(26)3)34-17-27(30)31/h7-15H,5-6,16-17H2,1-4H3,(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	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARgamma by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50418123 (CHEMBL1760005) Show SMILES CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H29ClF3NO6S/c1-5-6-16-33(40(36,37)25-15-14-24(17(2)18(25)3)38-19(4)27(34)35)23-9-7-8-22(26(23)29)20-10-12-21(13-11-20)39-28(30,31)32/h7-15,19H,5-6,16H2,1-4H3,(H,34,35)	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	<3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418152 (CHEMBL1760415) Show SMILES CCCCN(c1ccc(C)c(c1)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-16-30(24-13-8-18(2)25(17-24)22-9-11-23(29)12-10-22)36(33,34)27-15-14-26(19(3)20(27)4)35-21(5)28(31)32/h8-15,17,21H,6-7,16H2,1-5H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARgamma by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50418123 (CHEMBL1760005) Show SMILES CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H29ClF3NO6S/c1-5-6-16-33(40(36,37)25-15-14-24(17(2)18(25)3)38-19(4)27(34)35)23-9-7-8-22(26(23)29)20-10-12-21(13-11-20)39-28(30,31)32/h7-15,19H,5-6,16H2,1-4H3,(H,34,35)	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	<3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50418124 (CHEMBL1760428) Show SMILES CCCCN(c1cccc(-c2ccc(cc2)C(F)(F)F)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H29ClF3NO5S/c1-5-6-16-33(39(36,37)25-15-14-24(17(2)18(25)3)38-19(4)27(34)35)23-9-7-8-22(26(23)29)20-10-12-21(13-11-20)28(30,31)32/h7-15,19H,5-6,16H2,1-4H3,(H,34,35)	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	<3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50418124 (CHEMBL1760428) Show SMILES CCCCN(c1cccc(-c2ccc(cc2)C(F)(F)F)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H29ClF3NO5S/c1-5-6-16-33(39(36,37)25-15-14-24(17(2)18(25)3)38-19(4)27(34)35)23-9-7-8-22(26(23)29)20-10-12-21(13-11-20)28(30,31)32/h7-15,19H,5-6,16H2,1-4H3,(H,34,35)	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	<3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418131 (CHEMBL1760270) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(CCC)C(O)=O)c(C)c1C Show InChI InChI=1S/C30H36ClNO5S/c1-6-8-19-32(26-12-9-11-25(22(26)5)23-13-15-24(31)16-14-23)38(35,36)29-18-17-27(20(3)21(29)4)37-28(10-7-2)30(33)34/h9,11-18,28H,6-8,10,19H2,1-5H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARgamma by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418140 (CHEMBL1760403) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(F)c1F Show InChI InChI=1S/C26H26ClF2NO5S/c1-4-5-15-30(21-8-6-7-20(16(21)2)18-9-11-19(27)12-10-18)36(33,34)23-14-13-22(24(28)25(23)29)35-17(3)26(31)32/h6-14,17H,4-5,15H2,1-3H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARgamma by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50418123 (CHEMBL1760005) Show SMILES CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H29ClF3NO6S/c1-5-6-16-33(40(36,37)25-15-14-24(17(2)18(25)3)38-19(4)27(34)35)23-9-7-8-22(26(23)29)20-10-12-21(13-11-20)39-28(30,31)32/h7-15,19H,5-6,16H2,1-4H3,(H,34,35)	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	<3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair

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