Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'westwell' and Initial = 'ad'   

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
Aryl hydrocarbon receptor (Rattus norvegicus)	BDBM50240990 (2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole | 5-...) Show SMILES COc1ccc(cc1OC)-c1nc2cc(F)ccc2s1 Show InChI InChI=1S/C15H12FNO2S/c1-18-12-5-3-9(7-13(12)19-2)15-17-11-8-10(16)4-6-14(11)20-15/h3-8H,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Displacement of [3H]tetrachlorodibenzo-p-dioxin from aryl hydrocarbon receptor in CRL:WI rat liver cytosol				J Med Chem 51: 5135-9 (2008) Article DOI: 10.1021/jm800418z BindingDB Entry DOI: 10.7270/Q23X86F6
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Rattus norvegicus)	BDBM50240990 (2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole | 5-...) Show SMILES COc1ccc(cc1OC)-c1nc2cc(F)ccc2s1 Show InChI InChI=1S/C15H12FNO2S/c1-18-12-5-3-9(7-13(12)19-2)15-17-11-8-10(16)4-6-14(11)20-15/h3-8H,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Displacement of [3H]tetrachlorodibenzo-p-dioxin from aryl hydrocarbon receptor in CRL:WI rat liver cytosol				J Med Chem 51: 5135-9 (2008) Article DOI: 10.1021/jm800418z BindingDB Entry DOI: 10.7270/Q23X86F6
					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
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)
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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of biotinylated Bim peptide binding to His-tagged Bcl-2 (unknown origin) preincubated for 1 hr followed by biotinylated Bim peptide additi...				Bioorg Med Chem Lett 27: 1037-1040 (2017) Article DOI: 10.1016/j.bmcl.2016.12.061 BindingDB Entry DOI: 10.7270/Q28C9ZG5
					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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50234311 (CHEMBL4075044) Show SMILES Clc1cccc(Nc2nnc(o2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C16H11ClN4O/c17-10-4-3-5-11(8-10)19-16-21-20-15(22-16)13-9-18-14-7-2-1-6-12(13)14/h1-9,18H,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of biotinylated Bim peptide binding to His-tagged Bcl-2 (unknown origin) preincubated for 1 hr followed by biotinylated Bim peptide additi...				Bioorg Med Chem Lett 27: 1037-1040 (2017) Article DOI: 10.1016/j.bmcl.2016.12.061 BindingDB Entry DOI: 10.7270/Q28C9ZG5
					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
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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50234313 (CHEMBL4102399) Show SMILES [O-][N+](=O)c1ccccc1Nc1nnc(o1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C16H11N5O3/c22-21(23)14-8-4-3-7-13(14)18-16-20-19-15(24-16)11-9-17-12-6-2-1-5-10(11)12/h1-9,17H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of biotinylated Bim peptide binding to His-tagged Bcl-2 (unknown origin) preincubated for 1 hr followed by biotinylated Bim peptide additi...				Bioorg Med Chem Lett 27: 1037-1040 (2017) Article DOI: 10.1016/j.bmcl.2016.12.061 BindingDB Entry DOI: 10.7270/Q28C9ZG5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50432895 (CHEMBL2376835) Show SMILES Nn1c(SCc2cccc(c2)[N+]([O-])=O)nnc1-c1c[nH]c2ccccc12 Show InChI InChI=1S/C17H14N6O2S/c18-22-16(14-9-19-15-7-2-1-6-13(14)15)20-21-17(22)26-10-11-4-3-5-12(8-11)23(24)25/h1-9,19H,10,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Competitive binding affinity to his-tagged Bcl-2 (unknown origin) after 1 hr by ELISA in presence of Bim peptide				Bioorg Med Chem Lett 23: 2391-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.029 BindingDB Entry DOI: 10.7270/Q2PZ5B66
					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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Bcl-2 (unknown origin) after 15 hrs by FRET method				Bioorg Med Chem Lett 23: 2391-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.029 BindingDB Entry DOI: 10.7270/Q2PZ5B66
					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
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
Androgen receptor (Homo sapiens (Human))	BDBM50160764 (CHEMBL3785926) Show SMILES Cc1cc(=O)oc2cc(OCC(=O)C(C)(C)C)ccc12 Show InChI InChI=1S/C16H18O4/c1-10-7-15(18)20-13-8-11(5-6-12(10)13)19-9-14(17)16(2,3)4/h5-8H,9H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity against androgen receptor (unknown origin)				Bioorg Med Chem Lett 26: 2000-4 (2016) Article DOI: 10.1016/j.bmcl.2016.02.088 BindingDB Entry DOI: 10.7270/Q2MK6FS1
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50234312 (CHEMBL4066452) Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(o2)-c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C16H11N5O3/c22-21(23)11-7-5-10(6-8-11)18-16-20-19-15(24-16)13-9-17-14-4-2-1-3-12(13)14/h1-9,17H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of biotinylated Bim peptide binding to His-tagged Bcl-2 (unknown origin) preincubated for 1 hr followed by biotinylated Bim peptide additi...				Bioorg Med Chem Lett 27: 1037-1040 (2017) Article DOI: 10.1016/j.bmcl.2016.12.061 BindingDB Entry DOI: 10.7270/Q28C9ZG5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50160763 (CHEMBL3787387) Show SMILES CCOC(=O)C(CC)Oc1ccc2c(C)cc(=O)oc2c1 Show InChI InChI=1S/C16H18O5/c1-4-13(16(18)19-5-2)20-11-6-7-12-10(3)8-15(17)21-14(12)9-11/h6-9,13H,4-5H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity against androgen receptor (unknown origin)				Bioorg Med Chem Lett 26: 2000-4 (2016) Article DOI: 10.1016/j.bmcl.2016.02.088 BindingDB Entry DOI: 10.7270/Q2MK6FS1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50160765 (CHEMBL3787517) Show SMILES CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H16O4/c1-12-10-18(20)23-17-11-15(8-9-16(12)17)22-13(2)19(21)14-6-4-3-5-7-14/h3-11,13H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity against androgen receptor (unknown origin)				Bioorg Med Chem Lett 26: 2000-4 (2016) Article DOI: 10.1016/j.bmcl.2016.02.088 BindingDB Entry DOI: 10.7270/Q2MK6FS1
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50234314 (CHEMBL4063192) Show SMILES Cc1ccc(Nc2nnc(o2)-c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C17H14N4O/c1-11-6-8-12(9-7-11)19-17-21-20-16(22-17)14-10-18-15-5-3-2-4-13(14)15/h2-10,18H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of biotinylated Bim peptide binding to His-tagged Bcl-2 (unknown origin) preincubated for 1 hr followed by biotinylated Bim peptide additi...				Bioorg Med Chem Lett 27: 1037-1040 (2017) Article DOI: 10.1016/j.bmcl.2016.12.061 BindingDB Entry DOI: 10.7270/Q28C9ZG5
					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 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 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))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	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))	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 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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