Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'bassetto' and Initial = 'm'   

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
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026750 (CHEMBL3354618) Show SMILES Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:9| Show InChI InChI=1S/C30H30ClNO4S/c1-18-5-3-6-19(2)28(18)29-27(33)17-22(30(29)34)15-20-7-4-8-21-16-24(11-14-26(20)21)32-37(35,36)25-12-9-23(31)10-13-25/h3-10,12-13,22,24,32-33H,11,14-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0150	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026748 (CHEMBL3354616) Show SMILES COc1ccc(cc1)C1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:9| Show InChI InChI=1S/C29H28ClNO5S/c1-36-24-10-5-18(6-11-24)28-27(32)17-21(29(28)33)15-19-3-2-4-20-16-23(9-14-26(19)20)31-37(34,35)25-12-7-22(30)8-13-25/h2-8,10-13,21,23,31-32H,9,14-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026760 (CHEMBL3354614) Show SMILES OC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 |t:1| Show InChI InChI=1S/C28H26ClNO4S/c29-22-9-12-24(13-10-22)35(33,34)30-23-11-14-25-19(7-4-8-20(25)16-23)15-21-17-26(31)27(28(21)32)18-5-2-1-3-6-18/h1-10,12-13,21,23,30-31H,11,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026761 (CHEMBL3354615) Show SMILES OC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(F)cc1 |t:1| Show InChI InChI=1S/C28H25ClFNO4S/c29-21-6-11-24(12-7-21)36(34,35)31-23-10-13-25-18(2-1-3-19(25)15-23)14-20-16-26(32)27(28(20)33)17-4-8-22(30)9-5-17/h1-9,11-12,20,23,31-32H,10,13-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026759 (CHEMBL3354613) Show SMILES CC1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:1| Show InChI InChI=1S/C23H24ClNO4S/c1-14-22(26)13-17(23(14)27)11-15-3-2-4-16-12-19(7-10-21(15)16)25-30(28,29)20-8-5-18(24)6-9-20/h2-6,8-9,17,19,25-26H,7,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026758 (CHEMBL3335473) Show SMILES OC(=O)Cc1cccc2CC(CCc12)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClNO4S/c19-14-4-7-16(8-5-14)25(23,24)20-15-6-9-17-12(10-15)2-1-3-13(17)11-18(21)22/h1-5,7-8,15,20H,6,9-11H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026753 (S-18886 | Terutroban) Show SMILES Cc1ccc2C[C@@H](CCc2c1CCC(O)=O)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO4S/c1-13-2-3-14-12-16(6-9-19(14)18(13)10-11-20(23)24)22-27(25,26)17-7-4-15(21)5-8-17/h2-5,7-8,16,22H,6,9-12H2,1H3,(H,23,24)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026751 (CHEMBL3354619) Show SMILES OC1=C(Cc2ccccc2)C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1 |c:1| Show InChI InChI=1S/C29H28ClNO4S/c30-23-9-12-25(13-10-23)36(34,35)31-24-11-14-26-20(7-4-8-21(26)17-24)16-22-18-28(32)27(29(22)33)15-19-5-2-1-3-6-19/h1-10,12-13,22,24,31-32H,11,14-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50516763 (CHEMBL3185021) Show SMILES CC(O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity at GAL4-DBD fused rat androgen receptor expressed in UAS-bla 293 cells assessed as reduction in R1881-induced activation incubate...				Eur J Med Chem 180: 1-14 (2019) Article DOI: 10.1016/j.ejmech.2019.07.001 BindingDB Entry DOI: 10.7270/Q2474F79
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM50529668 (Enobosarm | Gtx-024 | MK-2866 | Ostarine | US10806...) Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535824 (CHEMBL4575144) Show SMILES CC(O)(COc1ccc(C#N)c(F)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H13F4N3O5/c1-17(27,9-30-12-4-2-10(8-23)14(19)7-12)16(26)24-11-3-5-15(25(28)29)13(6-11)18(20,21)22/h2-7,27H,9H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535836 (CHEMBL4558169) Show SMILES [H][C@@]12C[C@]1([H])[C@]1(C)C3CC[C@@]4(C)[C@@]([H])(CC[C@]4(OC(C)=O)C(C)=O)[C@]3([H])C=C(Cl)C1=CC2=O |r,c:33,t:29| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17?,18-,22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026755 (CHEMBL3335482) Show SMILES OC1=C(C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1)c1ccccc1 |t:1| Show InChI InChI=1S/C26H24ClNO4S/c27-22-9-11-23(12-10-22)33(31,32)28-14-13-18-5-4-6-19(15-18)16-21-17-24(29)25(26(21)30)20-7-2-1-3-8-20/h1-12,15,21,28-29H,13-14,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535830 (CHEMBL4523011) Show SMILES CC(O)(COc1ccc(cc1C(F)(F)F)C#N)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C19H13F6N3O5/c1-17(30,9-33-15-5-2-10(8-26)6-13(15)19(23,24)25)16(29)27-11-3-4-14(28(31)32)12(7-11)18(20,21)22/h2-7,30H,9H2,1H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535839 (CHEMBL4577418) Show SMILES CC1(C)N(C(=O)N(C1=O)c1ccc(cc1)C(F)(F)F)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C19H13F6N3O4/c1-17(2)15(29)26(11-5-3-10(4-6-11)18(20,21)22)16(30)27(17)12-7-8-14(28(31)32)13(9-12)19(23,24)25/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535835 (CHEMBL4547536) Show SMILES CC1(C)N(C(=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C19H13F6N3O4/c1-17(2)15(29)26(11-5-3-4-10(8-11)18(20,21)22)16(30)27(17)14-7-6-12(28(31)32)9-13(14)19(23,24)25/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535841 (CHEMBL4529395) Show SMILES CC1(C)N(C(=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H14F6N2O2/c1-17(2)15(28)26(13-7-3-5-11(9-13)18(20,21)22)16(29)27(17)14-8-4-6-12(10-14)19(23,24)25/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535837 (CHEMBL4482919) Show SMILES CC(O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F6N2O5/c1-16(28,9-31-14-5-3-2-4-11(14)17(19,20)21)15(27)25-10-6-7-13(26(29)30)12(8-10)18(22,23)24/h2-8,28H,9H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535829 (CHEMBL4529026) Show SMILES CC(O)(COc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F6N2O6/c1-16(28,9-31-13-4-2-3-5-14(13)32-18(22,23)24)15(27)25-10-6-7-12(26(29)30)11(8-10)17(19,20)21/h2-8,28H,9H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535825 (CHEMBL4572299) Show SMILES OC(CSc1ccccc1C(F)(F)F)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Show InChI InChI=1S/C18H11F9N2O4S/c19-16(20,21)10-3-1-2-4-13(10)34-8-15(31,18(25,26)27)14(30)28-9-5-6-12(29(32)33)11(7-9)17(22,23)24/h1-7,31H,8H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535834 (CHEMBL4532289) Show SMILES CC1(C)N(C(=O)N(C1=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C19H13F6N3O4/c1-17(2)15(29)26(11-5-3-10(4-6-11)18(20,21)22)16(30)27(17)14-8-7-12(28(31)32)9-13(14)19(23,24)25/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535826 (CHEMBL4581453) Show SMILES CC(O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F6N2O4S/c1-16(28,9-31-14-5-3-2-4-11(14)17(19,20)21)15(27)25-10-6-7-13(26(29)30)12(8-10)18(22,23)24/h2-8,28H,9H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535827 (CHEMBL4580745) Show SMILES CC(O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F6N2O4S/c1-16(28,9-31-14-5-3-2-4-11(14)17(19,20)21)15(27)25-13-7-6-10(26(29)30)8-12(13)18(22,23)24/h2-8,28H,9H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	332	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50425732 (ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity at GAL4 DBD-fused androgen receptor LBD (unknown origin) transfected in UAS-bla GripTite 293 cells assessed as inhibition of R188...				Bioorg Med Chem Lett 26: 3636-40 (2016) Article DOI: 10.1016/j.bmcl.2016.06.001 BindingDB Entry DOI: 10.7270/Q2571DX1
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50425732 (ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535840 (CHEMBL4533483) Show SMILES CC1(C)N(C(=O)N(C1=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1C(F)(F)F)C#N Show InChI InChI=1S/C20H13F6N3O2/c1-18(2)16(30)28(13-6-4-12(5-7-13)19(21,22)23)17(31)29(18)15-8-3-11(10-27)9-14(15)20(24,25)26/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	402	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535843 (CHEMBL4589154) Show SMILES CC(O)(COc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F6N2O6/c1-16(28,9-31-11-3-2-4-12(8-11)32-18(22,23)24)15(27)25-10-5-6-14(26(29)30)13(7-10)17(19,20)21/h2-8,28H,9H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	407	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535823 (CHEMBL4483683) Show SMILES CC(O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C19H14F6N2O2S/c1-17(29,10-30-15-5-3-2-4-13(15)18(20,21)22)16(28)27-12-7-6-11(9-26)14(8-12)19(23,24)25/h2-8,29H,10H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	425	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18525 (Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...) Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity at GAL4-DBD fused rat androgen receptor expressed in UAS-bla 293 cells assessed as reduction in R1881-induced activation incubate...				Eur J Med Chem 180: 1-14 (2019) Article DOI: 10.1016/j.ejmech.2019.07.001 BindingDB Entry DOI: 10.7270/Q2474F79
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM18678 ((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18678 ((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity at GAL4 DBD-fused androgen receptor LBD (unknown origin) transfected in UAS-bla GripTite 293 cells assessed as inhibition of R188...				Bioorg Med Chem Lett 26: 3636-40 (2016) Article DOI: 10.1016/j.bmcl.2016.06.001 BindingDB Entry DOI: 10.7270/Q2571DX1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50353640 (CHEMBL65121) Show SMILES OC(=O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C17H18ClNO4S/c18-15-5-7-16(8-6-15)24(22,23)19-11-10-14-3-1-2-13(12-14)4-9-17(20)21/h1-3,5-8,12,19H,4,9-11H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	523	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50516764 (CHEMBL4473164) Show SMILES CC(O)(COc1cccc(c1)S(F)(F)(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C17H14F8N2O5S/c1-16(29,9-32-11-3-2-4-12(8-11)33(21,22,23,24)25)15(28)26-10-5-6-14(27(30)31)13(7-10)17(18,19)20/h2-8,29H,9H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity at GAL4-DBD fused rat androgen receptor expressed in UAS-bla 293 cells assessed as reduction in R1881-induced activation incubate...				Eur J Med Chem 180: 1-14 (2019) Article DOI: 10.1016/j.ejmech.2019.07.001 BindingDB Entry DOI: 10.7270/Q2474F79
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535842 (CHEMBL4572778) Show SMILES CC(O)(CSc1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F6N2O4S/c1-16(28,9-31-12-4-2-3-10(7-12)17(19,20)21)15(27)25-11-5-6-14(26(29)30)13(8-11)18(22,23)24/h2-8,28H,9H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	625	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535828 (CHEMBL4519421) Show SMILES CC(O)(COc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F6N2O6/c1-16(28,9-31-11-3-5-12(6-4-11)32-18(22,23)24)15(27)25-10-2-7-14(26(29)30)13(8-10)17(19,20)21/h2-8,28H,9H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	625	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50189312 (CHEMBL3828139) Show SMILES CC(O)(CSc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C19H13F9N2O4S/c1-16(32,8-35-12-5-9(17(20,21)22)4-10(6-12)18(23,24)25)15(31)29-11-2-3-14(30(33)34)13(7-11)19(26,27)28/h2-7,32H,8H2,1H3,(H,29,31)	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	710	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity at GAL4 DBD-fused androgen receptor LBD (unknown origin) transfected in UAS-bla GripTite 293 cells assessed as inhibition of R188...				Bioorg Med Chem Lett 26: 3636-40 (2016) Article DOI: 10.1016/j.bmcl.2016.06.001 BindingDB Entry DOI: 10.7270/Q2571DX1
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535831 (CHEMBL4516292) Show SMILES CC(O)(COc1ccc(cc1C(F)(F)F)C#N)C(=O)Nc1ccc(cc1C(F)(F)F)C#N Show InChI InChI=1S/C20H13F6N3O3/c1-18(31,10-32-16-5-3-12(9-28)7-14(16)20(24,25)26)17(30)29-15-4-2-11(8-27)6-13(15)19(21,22)23/h2-7,31H,10H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	736	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535832 (CHEMBL4585541) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H14F6N2O4S/c1-17(29,10-32(30,31)14-6-3-12(4-7-14)18(20,21)22)16(28)27-13-5-2-11(9-26)15(8-13)19(23,24)25/h2-8,29H,10H2,1H3,(H,27,28)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	775	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535833 (CHEMBL4521612) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H14F6N2O5S/c1-17(29,10-33(30,31)14-6-4-13(5-7-14)32-19(23,24)25)16(28)27-12-3-2-11(9-26)15(8-12)18(20,21)22/h2-8,29H,10H2,1H3,(H,27,28)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	777	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535844 (CHEMBL4537113) Show SMILES CC(O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F6N2O6S/c1-16(28,9-33(31,32)14-5-3-2-4-11(14)17(19,20)21)15(27)25-10-6-7-13(26(29)30)12(8-10)18(22,23)24/h2-8,28H,9H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	811	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026754 (CHEMBL3335481) Show SMILES Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3CCCCc23)C1=O |c:9| Show InChI InChI=1S/C24H26O2/c1-15-7-5-8-16(2)22(15)23-21(25)14-19(24(23)26)13-18-11-6-10-17-9-3-4-12-20(17)18/h5-8,10-11,19,25H,3-4,9,12-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	891	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026757 (CHEMBL3335483) Show SMILES OC1=C(C2CCCCC2)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 |c:1| Show InChI InChI=1S/C26H30ClNO4S/c27-22-9-11-23(12-10-22)33(31,32)28-14-13-18-5-4-6-19(15-18)16-21-17-24(29)25(26(21)30)20-7-2-1-3-8-20/h4-6,9-12,15,20-21,28-29H,1-3,7-8,13-14,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	892	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535845 (CHEMBL4549022) Show SMILES CC(O)(CS(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F6N2O6S/c1-16(28,9-33(31,32)12-4-2-3-10(7-12)17(19,20)21)15(27)25-11-5-6-14(26(29)30)13(8-11)18(22,23)24/h2-8,28H,9H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50516765 (CHEMBL4581912) Show SMILES CC(O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F Show InChI InChI=1S/C17H15F8NO3S/c1-16(28,10-29-14-5-3-2-4-13(14)17(18,19)20)15(27)26-11-6-8-12(9-7-11)30(21,22,23,24)25/h2-9,28H,10H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity at GAL4-DBD fused rat androgen receptor expressed in UAS-bla 293 cells assessed as reduction in R1881-induced activation incubate...				Eur J Med Chem 180: 1-14 (2019) Article DOI: 10.1016/j.ejmech.2019.07.001 BindingDB Entry DOI: 10.7270/Q2474F79
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50535838 (CHEMBL4556247) Show SMILES C[C@](O)(CSc1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H14F6N2O2S/c1-17(29,10-30-14-6-3-12(4-7-14)18(20,21)22)16(28)27-13-5-2-11(9-26)15(8-13)19(23,24)25/h2-8,29H,10H2,1H3,(H,27,28)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...				Eur J Med Chem 118: 230-43 (2016) Article DOI: 10.1016/j.ejmech.2016.04.052 BindingDB Entry DOI: 10.7270/Q2K35Z5N
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026749 (CHEMBL3354617) Show SMILES CC(C)COC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1c(C)cccc1C |t:5| Show InChI InChI=1S/C34H38ClNO4S/c1-21(2)20-40-31-19-26(34(37)33(31)32-22(3)7-5-8-23(32)4)17-24-9-6-10-25-18-28(13-16-30(24)25)36-41(38,39)29-14-11-27(35)12-15-29/h5-12,14-15,21,26,28,36H,13,16-20H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50189313 (CHEMBL3827008) Show SMILES CC(O)(CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C19H13F9N2O6S/c1-16(32,15(31)29-11-2-3-14(30(33)34)13(7-11)19(26,27)28)8-37(35,36)12-5-9(17(20,21)22)4-10(6-12)18(23,24)25/h2-7,32H,8H2,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity at GAL4 DBD-fused androgen receptor LBD (unknown origin) transfected in UAS-bla GripTite 293 cells assessed as inhibition of R188...				Bioorg Med Chem Lett 26: 3636-40 (2016) Article DOI: 10.1016/j.bmcl.2016.06.001 BindingDB Entry DOI: 10.7270/Q2571DX1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50516764 (CHEMBL4473164) Show SMILES CC(O)(COc1cccc(c1)S(F)(F)(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C17H14F8N2O5S/c1-16(29,9-32-11-3-2-4-12(8-11)33(21,22,23,24)25)15(28)26-10-5-6-14(27(30)31)13(7-10)17(18,19)20/h2-8,29H,9H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by whole-cell voltage-clamp analysis				Eur J Med Chem 180: 1-14 (2019) Article DOI: 10.1016/j.ejmech.2019.07.001 BindingDB Entry DOI: 10.7270/Q2474F79
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50516765 (CHEMBL4581912) Show SMILES CC(O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F Show InChI InChI=1S/C17H15F8NO3S/c1-16(28,10-29-14-5-3-2-4-13(14)17(18,19)20)15(27)26-11-6-8-12(9-7-11)30(21,22,23,24)25/h2-9,28H,10H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by whole-cell voltage-clamp analysis				Eur J Med Chem 180: 1-14 (2019) Article DOI: 10.1016/j.ejmech.2019.07.001 BindingDB Entry DOI: 10.7270/Q2474F79
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50516766 (CHEMBL4472931) Show SMILES CC(O)(COc1ccc(cc1)S(F)(F)(F)(F)F)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H14F11NO3S/c1-16(32,9-33-13-2-4-14(5-3-13)34(25,26,27,28)29)15(31)30-12-7-10(17(19,20)21)6-11(8-12)18(22,23)24/h2-8,32H,9H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by whole-cell voltage-clamp analysis				Eur J Med Chem 180: 1-14 (2019) Article DOI: 10.1016/j.ejmech.2019.07.001 BindingDB Entry DOI: 10.7270/Q2474F79
					More data for this Ligand-Target Pair

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