Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'moeller' and Initial = 't'   

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
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125708 (1-(3,5-Dichloro-phenyl)-3-{3-[3-(3,5-dichloro-phen...) Show SMILES Clc1cc(Cl)cc(NC(=S)Nc2cccc(NC(=S)Nc3cc(Cl)cc(Cl)c3)c2)c1 Show InChI InChI=1S/C20H14Cl4N4S2/c21-11-4-12(22)7-17(6-11)27-19(29)25-15-2-1-3-16(10-15)26-20(30)28-18-8-13(23)5-14(24)9-18/h1-10H,(H2,25,27,29)(H2,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125717 (1-{2,4-Dibromo-5-[3-(4-iodo-phenyl)-ureido]-phenyl...) Show SMILES Brc1cc(Br)c(NC(=O)Nc2ccc(I)cc2)cc1NC(=O)Nc1ccc(I)cc1 Show InChI InChI=1S/C20H14Br2I2N4O2/c21-15-9-16(22)18(28-20(30)26-14-7-3-12(24)4-8-14)10-17(15)27-19(29)25-13-5-1-11(23)2-6-13/h1-10H,(H2,25,27,29)(H2,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125729 (3,5-Dichloro-N-{3-[3-(2,4-dibromo-phenyl)-ureido]-...) Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(NC(=O)Nc2ccc(Br)cc2Br)c1 Show InChI InChI=1S/C20H13Br2Cl2N3O2/c21-12-4-5-18(17(22)8-12)27-20(29)26-16-3-1-2-15(10-16)25-19(28)11-6-13(23)9-14(24)7-11/h1-10H,(H,25,28)(H2,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125714 (3,5-Dichloro-N-{3-[3-(3,5-dichloro-phenyl)-ureido]...) Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2cccc(NC(=O)c3cc(Cl)cc(Cl)c3)c2)c1 Show InChI InChI=1S/C20H13Cl4N3O2/c21-12-4-11(5-13(22)6-12)19(28)25-16-2-1-3-17(10-16)26-20(29)27-18-8-14(23)7-15(24)9-18/h1-10H,(H,25,28)(H2,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125731 (3,5-Dichloro-N-[3-(3,3-diphenyl-propionylamino)-ph...) Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C28H22Cl2N2O2/c29-22-14-21(15-23(30)16-22)28(34)32-25-13-7-12-24(17-25)31-27(33)18-26(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-17,26H,18H2,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125720 (3,5-Dichloro-N-[3-(2-naphthalen-2-yl-acetylamino)-...) Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(NC(=O)Cc2ccc3ccccc3c2)c1 Show InChI InChI=1S/C25H18Cl2N2O2/c26-20-12-19(13-21(27)14-20)25(31)29-23-7-3-6-22(15-23)28-24(30)11-16-8-9-17-4-1-2-5-18(17)10-16/h1-10,12-15H,11H2,(H,28,30)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125716 (3,5-dichloro-N-{3-[(3,5-dichlorobenzoyl)amino]phen...) Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C20H12Cl4N2O2/c21-13-4-11(5-14(22)8-13)19(27)25-17-2-1-3-18(10-17)26-20(28)12-6-15(23)9-16(24)7-12/h1-10H,(H,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125706 (3,5-Dichloro-N-{3-[3-(4-trifluoromethyl-phenyl)-ur...) Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(NC(=O)c3cc(Cl)cc(Cl)c3)c2)cc1 Show InChI InChI=1S/C21H14Cl2F3N3O2/c22-14-8-12(9-15(23)10-14)19(30)27-17-2-1-3-18(11-17)29-20(31)28-16-6-4-13(5-7-16)21(24,25)26/h1-11H,(H,27,30)(H2,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125718 (1,3-di(5-chloro-2-methylsulfonylphenylcarboxamido)...) Show SMILES CS(=O)(=O)c1ccc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2S(C)(=O)=O)c1 Show InChI InChI=1S/C22H18Cl2N2O6S2/c1-33(29,30)19-8-6-13(23)10-17(19)21(27)25-15-4-3-5-16(12-15)26-22(28)18-11-14(24)7-9-20(18)34(2,31)32/h3-12H,1-2H3,(H,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125721 (3,5-Dichloro-N-[3-(2-naphthalen-1-yl-acetylamino)-...) Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(NC(=O)Cc2cccc3ccccc23)c1 Show InChI InChI=1S/C25H18Cl2N2O2/c26-19-11-18(12-20(27)14-19)25(31)29-22-9-4-8-21(15-22)28-24(30)13-17-7-3-6-16-5-1-2-10-23(16)17/h1-12,14-15H,13H2,(H,28,30)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125715 (3,5-Dichloro-N-[3-(3-phenyl-ureido)-phenyl]-benzam...) Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C20H15Cl2N3O2/c21-14-9-13(10-15(22)11-14)19(26)23-17-7-4-8-18(12-17)25-20(27)24-16-5-2-1-3-6-16/h1-12H,(H,23,26)(H2,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125719 (3,5-Dichloro-N-{3-[3-(2-ethyl-phenyl)-ureido]-phen...) Show SMILES CCc1ccccc1NC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C22H19Cl2N3O2/c1-2-14-6-3-4-9-20(14)27-22(29)26-19-8-5-7-18(13-19)25-21(28)15-10-16(23)12-17(24)11-15/h3-13H,2H2,1H3,(H,25,28)(H2,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125722 (1-Naphthalen-1-ylmethyl-3-[3-(3-naphthalen-1-ylmet...) Show SMILES O=C(NCc1cccc2ccccc12)Nc1cccc(NC(=O)NCc2cccc3ccccc23)c1 Show InChI InChI=1S/C30H26N4O2/c35-29(31-19-23-12-5-10-21-8-1-3-16-27(21)23)33-25-14-7-15-26(18-25)34-30(36)32-20-24-13-6-11-22-9-2-4-17-28(22)24/h1-18H,19-20H2,(H2,31,33,35)(H2,32,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125724 (3,5-Dichloro-N-{3-[3-(2-methyl-benzyl)-ureido]-phe...) Show SMILES Cc1ccccc1CNC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C22H19Cl2N3O2/c1-14-5-2-3-6-15(14)13-25-22(29)27-20-8-4-7-19(12-20)26-21(28)16-9-17(23)11-18(24)10-16/h2-12H,13H2,1H3,(H,26,28)(H2,25,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125709 (1-{2,4-Dibromo-5-[3-(4-dimethylamino-phenyl)-ureid...) Show SMILES CN(C)c1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(cc3)N(C)C)c(Br)cc2Br)cc1 Show InChI InChI=1S/C24H26Br2N6O2/c1-31(2)17-9-5-15(6-10-17)27-23(33)29-21-14-22(20(26)13-19(21)25)30-24(34)28-16-7-11-18(12-8-16)32(3)4/h5-14H,1-4H3,(H2,27,29,33)(H2,28,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125732 (1-(3,5-Dichloro-phenyl)-3-{3-[3-(3,5-dichloro-phen...) Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2cccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1 Show InChI InChI=1S/C20H14Cl4N4O2/c21-11-4-12(22)7-17(6-11)27-19(29)25-15-2-1-3-16(10-15)26-20(30)28-18-8-13(23)5-14(24)9-18/h1-10H,(H2,25,27,29)(H2,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125713 (CHEMBL276713 | N-[3-(3-Benzyl-ureido)-phenyl]-3,5-...) Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(NC(=O)NCc2ccccc2)c1 Show InChI InChI=1S/C21H17Cl2N3O2/c22-16-9-15(10-17(23)11-16)20(27)25-18-7-4-8-19(12-18)26-21(28)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,25,27)(H2,24,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125728 (CHEMBL13550 | N-(3,5-dichlorophenyl)-N'-{3-[({[(3,...) Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2cccc(CNC(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1 Show InChI InChI=1S/C22H18Cl4N4O2/c23-15-5-16(24)8-19(7-15)29-21(31)27-11-13-2-1-3-14(4-13)12-28-22(32)30-20-9-17(25)6-18(26)10-20/h1-10H,11-12H2,(H2,27,29,31)(H2,28,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125707 (1-Isoxazol-3-yl-3-[3-(3-isoxazol-3-yl-ureido)-phen...) Show SMILES O=C(Nc1ccon1)Nc1cccc(NC(=O)Nc2ccon2)c1 Show InChI InChI=1S/C14H12N6O4/c21-13(17-11-4-6-23-19-11)15-9-2-1-3-10(8-9)16-14(22)18-12-5-7-24-20-12/h1-8H,(H2,15,17,19,21)(H2,16,18,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125727 (1-(3,5-Dichloro-phenyl)-3-{3-[3-(3,5-dichloro-phen...) Show SMILES Clc1cc(Cl)cc(NC(=O)NC2CCCC(C2)NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C20H20Cl4N4O2/c21-11-4-12(22)7-17(6-11)27-19(29)25-15-2-1-3-16(10-15)26-20(30)28-18-8-13(23)5-14(24)9-18/h4-9,15-16H,1-3,10H2,(H2,25,27,29)(H2,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125710 (1-Naphthalen-1-yl-3-[3-(3-naphthalen-1-yl-ureido)-...) Show SMILES O=C(NC1CCCC(C1)NC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12 Show InChI InChI=1S/C28H28N4O2/c33-27(31-25-16-5-10-19-8-1-3-14-23(19)25)29-21-12-7-13-22(18-21)30-28(34)32-26-17-6-11-20-9-2-4-15-24(20)26/h1-6,8-11,14-17,21-22H,7,12-13,18H2,(H2,29,31,33)(H2,30,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125712 (1-(2,2-Diphenyl-ethyl)-3-{3-[3-(2,2-diphenyl-ethyl...) Show SMILES O=C(NCC(c1ccccc1)c1ccccc1)Nc1cccc(NC(=O)NCC(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C36H34N4O2/c41-35(37-25-33(27-14-5-1-6-15-27)28-16-7-2-8-17-28)39-31-22-13-23-32(24-31)40-36(42)38-26-34(29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-24,33-34H,25-26H2,(H2,37,39,41)(H2,38,40,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125723 (1-(2,4-Dibromo-phenyl)-3-{3-[3-(2,4-dibromo-phenyl...) Show SMILES Brc1ccc(NC(=O)NC2CCCC(C2)NC(=O)Nc2ccc(Br)cc2Br)c(Br)c1 Show InChI InChI=1S/C20H20Br4N4O2/c21-11-4-6-17(15(23)8-11)27-19(29)25-13-2-1-3-14(10-13)26-20(30)28-18-7-5-12(22)9-16(18)24/h4-9,13-14H,1-3,10H2,(H2,25,27,29)(H2,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125725 (1,1'-(4,6-dibromo-1,3-phenylene)bis(3-(2-carbamoyl...) Show SMILES NC(=O)c1ccccc1NC(=O)Nc1cc(NC(=O)Nc2ccccc2C(N)=O)c(Br)cc1Br Show InChI InChI=1S/C22H18Br2N6O4/c23-13-9-14(24)18(30-22(34)28-16-8-4-2-6-12(16)20(26)32)10-17(13)29-21(33)27-15-7-3-1-5-11(15)19(25)31/h1-10H,(H2,25,31)(H2,26,32)(H2,27,29,33)(H2,28,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125730 (1-(2,4-Dibromo-phenyl)-3-{3-[3-(2,4-dibromo-phenyl...) Show SMILES Brc1ccc(NC(=O)Nc2cccc(NC(=O)Nc3ccc(Br)cc3Br)c2)c(Br)c1 Show InChI InChI=1S/C20H14Br4N4O2/c21-11-4-6-17(15(23)8-11)27-19(29)25-13-2-1-3-14(10-13)26-20(30)28-18-7-5-12(22)9-16(18)24/h1-10H,(H2,25,27,29)(H2,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125711 (1-(2,4-Dimethyl-phenyl)-3-{3-[3-(2,4-dimethyl-phen...) Show SMILES Cc1ccc(NC(=O)Nc2cccc(NC(=O)Nc3ccc(C)cc3C)c2)c(C)c1 Show InChI InChI=1S/C24H26N4O2/c1-15-8-10-21(17(3)12-15)27-23(29)25-19-6-5-7-20(14-19)26-24(30)28-22-11-9-16(2)13-18(22)4/h5-14H,1-4H3,(H2,25,27,29)(H2,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Rattus norvegicus)	BDBM50125726 (1-(3-Methoxy-phenyl)-3-{3-[3-(3-methoxy-phenyl)-ur...) Show SMILES COc1cccc(NC(=O)NC2CCCC(C2)NC(=O)Nc2cccc(OC)c2)c1 Show InChI InChI=1S/C22H28N4O4/c1-29-19-10-4-8-17(13-19)25-21(27)23-15-6-3-7-16(12-15)24-22(28)26-18-9-5-11-20(14-18)30-2/h4-5,8-11,13-16H,3,6-7,12H2,1-2H3,(H2,23,25,27)(H2,24,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50009073 (4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	710	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50088383 (Amlodipine | CHEBI:2668 | Norvasc) Show SMILES CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC |c:5,14| Show InChI InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM22876 (CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50101963 (BAY-K-5552 | CHEBI:76917 | Nisoldipine | Sular) Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C |c:4,9| Show InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Rattus norvegicus)	BDBM115054 (4-Amino-N-(2-amino-phenyl)-benzamide | 4-amino-N-(...) Show SMILES Nc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C13H13N3O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM115054 (4-Amino-N-(2-amino-phenyl)-benzamide | 4-amino-N-(...) Show SMILES Nc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C13H13N3O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50103608 (Anti-Lewisite | CHEBI:64198 | Dimercaprol | Sulfac...) Show SMILES OCC(S)CS Show InChI InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50103631 (CHEBI:31625 | Fluor-Op | Fluorometholone | Fml For...) Show SMILES [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C |r,c:27,t:23| Show InChI InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50088492 (Bumecaine) Show SMILES CCCCN1CCCC1C(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C18H28N2O/c1-5-6-9-20-10-7-8-16(20)18(21)19-17-14(3)11-13(2)12-15(17)4/h11-12,16H,5-10H2,1-4H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Rattus norvegicus)	BDBM50103611 (CHEBI:31524 | DOPS | Droxidopa | L-DOPS) Show SMILES N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(O)=O |r| Show InChI InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.31E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50103636 (ADD-3878 | CHEBI:64227 | Ciglitazone | U-63287) Show SMILES CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 Show InChI InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50065387 (CHEBI:78886 | E319) Show SMILES CC(C)(C)c1cc(O)ccc1O Show InChI InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Rattus norvegicus)	BDBM50103628 (CHEMBL1702784) Show SMILES O=C1\C(CCC\C1=C\c1cccs1)=C/c1cccs1 Show InChI InChI=1S/C16H14OS2/c17-16-12(10-14-6-2-8-18-14)4-1-5-13(16)11-15-7-3-9-19-15/h2-3,6-11H,1,4-5H2/b12-10-,13-11-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50103612 (CHEMBL2356116) Show SMILES Cl.COc1ccc(CCN(CCc2ccc(OC)c(OC)c2OC)C(=O)C(C2=NCCc3cc(OC)c(OC)cc23)c2ccccc2)c(OC)c1OC |t:27| Show InChI InChI=1S/C41H48N2O9/c1-45-31-16-14-27(37(49-5)39(31)51-7)19-22-43(23-20-28-15-17-32(46-2)40(52-8)38(28)50-6)41(44)35(26-12-10-9-11-13-26)36-30-25-34(48-4)33(47-3)24-29(30)18-21-42-36/h9-17,24-25,35H,18-23H2,1-8H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Rattus norvegicus)	BDBM50088492 (Bumecaine) Show SMILES CCCCN1CCCC1C(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C18H28N2O/c1-5-6-9-20-10-7-8-16(20)18(21)19-17-14(3)11-13(2)12-15(17)4/h11-12,16H,5-10H2,1-4H3,(H,19,21)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50067593 (CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50301375 (3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...) Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50370232 (BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50008984 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM78576 (CIS-THIOTHIXENE | MLS000028463 | SMR000058396 | TH...) Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1 Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM32073 ((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...) Show SMILES C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 Show InChI InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50009073 (4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50375318 (Fungistat | Gyno-Terazol | Panlomyc | R-42470 | TE...) Show SMILES CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair

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