Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C11'   

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
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		7.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of CYP2C11 in rat liver microsomes				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00724 BindingDB Entry DOI: 10.7270/Q2697778
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50505787 (CHEMBL4537998) Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r| Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human thyroid stimulating hormone receptor expressed in rat HTC133 cells assessed as reduction in agonist-induced cAMP product...				J Med Chem 62: 10321-10341 (2019) Article DOI: 10.1021/acs.jmedchem.9b01382 BindingDB Entry DOI: 10.7270/Q29P34X6
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50004441 ((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylase				J Med Chem 35: 2818-25 (1992) BindingDB Entry DOI: 10.7270/Q24Q7SZT
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50505783 (CHEMBL4458424) Show SMILES Fc1ccc(Oc2ncc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(F)cc3)cn2)cc1 |r| Show InChI InChI=1S/C25H19F2N5O2/c26-17-5-3-16(4-6-17)23-21-2-1-12-28-22(21)11-13-32(23)25(33)31-19-14-29-24(30-15-19)34-20-9-7-18(27)8-10-20/h1-10,12,14-15,23H,11,13H2,(H,31,33)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human thyroid stimulating hormone receptor expressed in rat HTC133 cells assessed as reduction in agonist-induced cAMP product...				J Med Chem 62: 10321-10341 (2019) Article DOI: 10.1021/acs.jmedchem.9b01382 BindingDB Entry DOI: 10.7270/Q29P34X6
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50505789 (CHEMBL4471621) Show SMILES COc1ccc(cc1)[C@@H]1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human thyroid stimulating hormone receptor expressed in rat HTC133 cells assessed as reduction in agonist-induced cAMP product...				J Med Chem 62: 10321-10341 (2019) Article DOI: 10.1021/acs.jmedchem.9b01382 BindingDB Entry DOI: 10.7270/Q29P34X6
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50505793 (CHEMBL4593222) Show SMILES COc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human thyroid stimulating hormone receptor expressed in rat HTC133 cells assessed as reduction in agonist-induced cAMP product...				J Med Chem 62: 10321-10341 (2019) Article DOI: 10.1021/acs.jmedchem.9b01382 BindingDB Entry DOI: 10.7270/Q29P34X6
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50505788 (CHEMBL4449797) Show SMILES COc1ccc(cc1)[C@H]1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human thyroid stimulating hormone receptor expressed in rat HTC133 cells assessed as reduction in agonist-induced cAMP product...				J Med Chem 62: 10321-10341 (2019) Article DOI: 10.1021/acs.jmedchem.9b01382 BindingDB Entry DOI: 10.7270/Q29P34X6
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50004442 ((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylase				J Med Chem 35: 2818-25 (1992) BindingDB Entry DOI: 10.7270/Q24Q7SZT
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 progesterone 15-alpha hydroxylase				J Med Chem 35: 2818-25 (1992) BindingDB Entry DOI: 10.7270/Q24Q7SZT
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50426305 (ARTEMOTIL) Show SMILES CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 |r| Show InChI InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Division of Medicinal& Process Chemistry, Division of Parasitology, Division of Pharmacokinetics and Metabolism, and Sophisticated Analytical Instrument Facility, Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C11 in rat liver microsome using diclofenac as substrate by HPLC-PDA analysis				ACS Med Chem Lett 4: 165-9 (2013) Article DOI: 10.1021/ml300188t BindingDB Entry DOI: 10.7270/Q2V1264R
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylase				J Med Chem 35: 2818-25 (1992) BindingDB Entry DOI: 10.7270/Q24Q7SZT
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496708 (CHEMBL1315387) Show SMILES CCCCN1C(Nc2ccccc2C1=O)c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1 Show InChI InChI=1S/C28H31N3O4/c1-4-5-16-31-27(30-25-9-7-6-8-24(25)28(31)33)20-10-15-26(34-3)21(17-20)18-35-23-13-11-22(12-14-23)29-19(2)32/h6-15,17,27,30H,4-5,16,18H2,1-3H3,(H,29,32)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	830	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496707 (CHEMBL1708839) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2cccc(F)c2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C31H28FN3O4/c1-20(36)33-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-34-27-10-6-9-26(32)29(27)31(37)35(30)18-21-7-4-3-5-8-21/h3-17,30,34H,18-19H2,1-2H3,(H,33,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496710 (CHEMBL1563670) Show SMILES COc1ccc(OCc2cc(ccc2OC)C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 Show InChI InChI=1S/C30H28N2O4/c1-34-24-13-15-25(16-14-24)36-20-23-18-22(12-17-28(23)35-2)29-31-27-11-7-6-10-26(27)30(33)32(29)19-21-8-4-3-5-9-21/h3-18,29,31H,19-20H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496711 (CHEMBL1729165) Show SMILES COc1ccc(cc1COc1ccccc1)C1Nc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C29H26N2O3/c1-33-27-17-16-22(18-23(27)20-34-24-12-6-3-7-13-24)28-30-26-15-9-8-14-25(26)29(32)31(28)19-21-10-4-2-5-11-21/h2-18,28,30H,19-20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496712 (CHEMBL1719708) Show SMILES COc1ccc(cc1CSc1ccc(NC(C)=O)cc1)C1Nc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C31H29N3O3S/c1-21(35)32-25-13-15-26(16-14-25)38-20-24-18-23(12-17-29(24)37-2)30-33-28-11-7-6-10-27(28)31(36)34(30)19-22-8-4-3-5-9-22/h3-18,30,33H,19-20H2,1-2H3,(H,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496713 (CHEMBL1715624) Show SMILES COc1ccc(cc1CSc1ccc(NC(C)=O)cc1)C1Nc2cccc(O)c2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C31H29N3O4S/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496714 (CHEMBL1718442) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)-c1nc2cccc(O)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C31H27N3O5/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,36H,18-19H2,1-2H3,(H,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496715 (CHEMBL1705547) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2ccc(O)cc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C31H29N3O5/c1-20(35)32-24-9-12-26(13-10-24)39-19-23-16-22(8-15-29(23)38-2)30-33-28-14-11-25(36)17-27(28)31(37)34(30)18-21-6-4-3-5-7-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496716 (CHEMBL1706950) Show SMILES COc1ccc(cc1COc1cccc(NC(C)=O)c1)C1Nc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C31H29N3O4/c1-21(35)32-25-11-8-12-26(18-25)38-20-24-17-23(15-16-29(24)37-2)30-33-28-14-7-6-13-27(28)31(36)34(30)19-22-9-4-3-5-10-22/h3-18,30,33H,19-20H2,1-2H3,(H,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.34E+3	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496717 (CHEMBL1357440) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)-c1nc2ccccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C31H27N3O4/c1-21(35)32-25-13-15-26(16-14-25)38-20-24-18-23(12-17-29(24)37-2)30-33-28-11-7-6-10-27(28)31(36)34(30)19-22-8-4-3-5-9-22/h3-18H,19-20H2,1-2H3,(H,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	960	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496718 (CHEMBL1473939) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2cccc(OC)c2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C32H31N3O5/c1-21(36)33-25-13-15-26(16-14-25)40-20-24-18-23(12-17-28(24)38-2)31-34-27-10-7-11-29(39-3)30(27)32(37)35(31)19-22-8-5-4-6-9-22/h4-18,31,34H,19-20H2,1-3H3,(H,33,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.48E+3	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496719 (CHEMBL1571865) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2ccccc2C(=O)N1Cc1ccncc1 Show InChI InChI=1S/C30H28N4O4/c1-20(35)32-24-8-10-25(11-9-24)38-19-23-17-22(7-12-28(23)37-2)29-33-27-6-4-3-5-26(27)30(36)34(29)18-21-13-15-31-16-14-21/h3-17,29,33H,18-19H2,1-2H3,(H,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496706 (CHEMBL1515891) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2cccc(O)c2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C31H29N3O5/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496705 (CHEMBL1370580) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)-c1nc2ccccc2c(=O)n1Cc1ccco1 Show InChI InChI=1S/C29H25N3O5/c1-19(33)30-22-10-12-23(13-11-22)37-18-21-16-20(9-14-27(21)35-2)28-31-26-8-4-3-7-25(26)29(34)32(28)17-24-6-5-15-36-24/h3-16H,17-18H2,1-2H3,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	930	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496704 (CHEMBL1701447) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2ccccc2C(=O)N1c1ccccc1 Show InChI InChI=1S/C30H27N3O4/c1-20(34)31-23-13-15-25(16-14-23)37-19-22-18-21(12-17-28(22)36-2)29-32-27-11-7-6-10-26(27)30(35)33(29)24-8-4-3-5-9-24/h3-18,29,32H,19H2,1-2H3,(H,31,34)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.09E+3	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50189778 (CHEMBL211405 | N-tert-butyl-5-amino-4-(3-methoxyph...) Show SMILES COc1cccc(c1)-c1nc(SC)nc2sc(C(=O)NC(C)(C)C)c(N)c12 Show InChI InChI=1S/C19H22N4O2S2/c1-19(2,3)23-16(24)15-13(20)12-14(10-7-6-8-11(9-10)25-4)21-18(26-5)22-17(12)27-15/h6-9H,20H2,1-5H3,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin)				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496703 (CHEMBL1589735) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C32H31N3O4/c1-22(36)33-26-13-15-27(16-14-26)39-21-25-20-24(12-17-30(25)38-2)31-34-29-11-7-6-10-28(29)32(37)35(31)19-18-23-8-4-3-5-9-23/h3-17,20,31,34H,18-19,21H2,1-2H3,(H,33,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496702 (CHEMBL1331194) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C31H29N3O4/c1-21(35)32-25-13-15-26(16-14-25)38-20-24-18-23(12-17-29(24)37-2)30-33-28-11-7-6-10-27(28)31(36)34(30)19-22-8-4-3-5-9-22/h3-18,30,33H,19-20H2,1-2H3,(H,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM83388 (MLS001073997 | N-[4-[5-[3-(2-furfuryl)-4-keto-1,2-...) Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2ccccc2C(=O)N1Cc1ccco1 Show InChI InChI=1S/C29H27N3O5/c1-19(33)30-22-10-12-23(13-11-22)37-18-21-16-20(9-14-27(21)35-2)28-31-26-8-4-3-7-25(26)29(34)32(28)17-24-6-5-15-36-24/h3-16,28,31H,17-18H2,1-2H3,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50496709 (CHEMBL1720417) Show SMILES CC(=O)Nc1ccc(OCc2cccc(c2)C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 Show InChI InChI=1S/C30H27N3O3/c1-21(34)31-25-14-16-26(17-15-25)36-20-23-10-7-11-24(18-23)29-32-28-13-6-5-12-27(28)30(35)33(29)19-22-8-3-2-4-9-22/h2-18,29,32H,19-20H2,1H3,(H,31,34)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a
NIH Chemical Genomics Center Curated by ChEMBL					Assay Description Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA				Medchemcomm 2: 1016-1020 (2011) Article DOI: 10.1039/c1md00145k BindingDB Entry DOI: 10.7270/Q2668H51
					More data for this Ligand-Target Pair