Compile Data Set for Download or QSAR

Found 236 hits with Last Name = 'arienti' and Initial = 'kl'   

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
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	-56.5	n/a	n/a	5.70	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H4 receptor (Homo sapiens (Human))	BDBM22564 (2-arylbenzimidazole derivative, 10 | 2-{2-chloro-4...) Show SMILES CN1CCCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1 Show InChI InChI=1S/C24H31ClN4O/c1-17-14-18(2)23-22(15-17)26-24(27-23)20-7-6-19(16-21(20)25)30-13-5-10-29-9-4-8-28(3)11-12-29/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				Bioorg Med Chem Lett 16: 6043-8 (2006) Article DOI: 10.1016/j.bmcl.2006.08.117 BindingDB Entry DOI: 10.7270/Q20P0XB5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18193 (1-ethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinoli...) Show SMILES CCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O2/c1-2-19-3-4-21-12-7-10-8(5-11(12)19)9(14(15,16)17)6-13(20)18-10/h5-7H,2-4H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	-53.0	n/a	n/a	6.40	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18198 (1-(cyclopropylmethyl)-9-(trifluoromethyl)-1H,2H,3H...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3OCCN(CC4CC4)c3cc12 Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)11-6-15(22)20-12-7-14-13(5-10(11)12)21(3-4-23-14)8-9-1-2-9/h5-7,9H,1-4,8H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	-52.2	n/a	n/a	1.40	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077104 (CHEMBL431493 | Cis-(4aR,12bS)-11-Trifluoromethyl-2...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCCC[C@@H]4c3cc12 Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)13-6-16(23)22-15-7-14-11(5-12(13)15)10-4-2-1-3-9(10)8-21-14/h5-7,9-10,21H,1-4,8H2,(H,22,23)/t9-,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50077095 (CHEMBL281945 | Trans-7-Methyl-4-trifluoromethyl-6-...) Show SMILES C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1CCC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O/c1-8-7-24-13-6-14-11(12(17(21,22)23)5-15(26)25-14)4-10(13)9(8)2-3-16(18,19)20/h4-6,8-9,24H,2-3,7H2,1H3,(H,25,26)/t8-,9?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18218 ((2R)-2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoro...) Show SMILES CC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11/h3-5,8H,2,6-7H2,1H3,(H,23,25)/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18211 (1-(cyclopropylmethyl)-2-methyl-9-(trifluoromethyl)...) Show SMILES CC1COc2cc3[nH]c(=O)cc(c3cc2N1CC1CC1)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O2/c1-9-8-24-15-6-13-11(4-14(15)22(9)7-10-2-3-10)12(17(18,19)20)5-16(23)21-13/h4-6,9-10H,2-3,7-8H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18197 (1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H...) Show SMILES FC(F)(F)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C14H10F6N2O2/c15-13(16,17)6-22-1-2-24-11-5-9-7(3-10(11)22)8(14(18,19)20)4-12(23)21-9/h3-5H,1-2,6H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4	-49.9	n/a	n/a	3.5	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18209 (1-ethyl-2-methyl-9-(trifluoromethyl)-1H,2H,3H,6H,7...) Show SMILES CCN1C(C)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O2/c1-3-20-8(2)7-22-13-6-11-9(4-12(13)20)10(15(16,17)18)5-14(21)19-11/h4-6,8H,3,7H2,1-2H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18210 (1,2-diethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-qui...) Show SMILES CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O2/c1-3-9-8-23-14-7-12-10(5-13(14)21(9)4-2)11(16(17,18)19)6-15(22)20-12/h5-7,9H,3-4,8H2,1-2H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.60	n/a	n/a	n/a	3.90	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18189 ((1R,2S,10S,11S,14S,15S,17S)-1-fluoro-14,17-dihydro...) Show SMILES [H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:20| Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	5.70	-48.9	n/a	n/a	0.300	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18215 ((2S)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) Show SMILES C[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18190 (6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...) Show SMILES CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18216 ((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) Show SMILES C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.10	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18213 (2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluorometh...) Show SMILES CC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7.80	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077105 (CHEMBL418198 | Trans-6-Ethyl-7-methyl-4-trifluorom...) Show SMILES CCC1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(22)21-14/h4-6,8-9,20H,3,7H2,1-2H3,(H,21,22)/t8-,9?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077112 (CHEMBL27812 | Cis-(3aR,11bS)-10-Trifluoromethyl-1,...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCC[C@@H]4c3cc12 Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)12-5-15(22)21-14-6-13-10(4-11(12)14)9-3-1-2-8(9)7-20-13/h4-6,8-9,20H,1-3,7H2,(H,21,22)/t8-,9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077115 (CHEMBL282204 | Cis-6,7-Dimethyl-4-trifluoromethyl-...) Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077111 (6-Ethyl-1-methyl-4-trifluoromethyl-6,7,8,9-tetrahy...) Show SMILES CCC1CCNc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(22)21(14)2/h6-9,20H,3-5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22563 (2-arylbenzimidazole derivative, 9 | 2-{2-chloro-4-...) Show SMILES CN1CCCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1 Show InChI InChI=1S/C24H31ClN4O/c1-17-6-9-22-23(18(17)2)27-24(26-22)20-8-7-19(16-21(20)25)30-15-5-12-29-11-4-10-28(3)13-14-29/h6-9,16H,4-5,10-15H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	9	-45.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				Bioorg Med Chem Lett 16: 6043-8 (2006) Article DOI: 10.1016/j.bmcl.2006.08.117 BindingDB Entry DOI: 10.7270/Q20P0XB5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077097 (6-Methyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-p...) Show SMILES CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(20)19-12/h4-7,18H,2-3H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) in CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18214 (2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethy...) Show SMILES CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11/h3-5,8H,2,6-7H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	9.40	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18194 (1-propyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinol...) Show SMILES CCCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O2/c1-2-3-20-4-5-22-13-8-11-9(6-12(13)20)10(15(16,17)18)7-14(21)19-11/h6-8H,2-5H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	9.60	-47.6	n/a	n/a	2.40	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18190 (6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...) Show SMILES CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	-47.3	n/a	n/a	4.10	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077108 (6,6-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) Show SMILES CC1(C)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-14(2)3-4-19-12-7-11-8(5-10(12)14)9(15(16,17)18)6-13(21)20-11/h5-7,19H,3-4H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077109 (6-Isopropyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...) Show SMILES CC(C)C1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-8(2)9-3-4-20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(22)21-14/h5-9,20H,3-4H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077096 (CHEMBL25802 | Trans-11-Trifluoromethyl-2,3,4,4a,5,...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@H]4CCCC[C@@H]4c3cc12 Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)13-6-16(23)22-15-7-14-11(5-12(13)15)10-4-2-1-3-9(10)8-21-14/h5-7,9-10,21H,1-4,8H2,(H,22,23)/t9-,10+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18201 (3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluorometh...) Show SMILES CC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-23(6-14(16,17)18)11-2-8-9(15(19,20)21)3-13(24)22-10(8)4-12(11)25-7/h2-4,7H,5-6H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	15	-46.5	n/a	n/a	8.90	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18192 (1-methyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinol...) Show SMILES CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C13H11F3N2O2/c1-18-2-3-20-11-6-9-7(4-10(11)18)8(13(14,15)16)5-12(19)17-9/h4-6H,2-3H2,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	15	-46.5	n/a	n/a	18	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077099 (CHEMBL436344 | Trans-6,7-Dimethyl-4-trifluoromethy...) Show SMILES C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18222 (4-(trifluoromethyl)-1,2,7,8,9,10,10a,11-octahydro-...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3OCC4CCCCN4c3cc12 Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)11-6-15(22)20-12-7-14-13(5-10(11)12)21-4-2-1-3-9(21)8-23-14/h5-7,9H,1-4,8H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18195 (1-(2-methylpropyl)-9-(trifluoromethyl)-1H,2H,3H,6H...) Show SMILES CC(C)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O2/c1-9(2)8-21-3-4-23-14-7-12-10(5-13(14)21)11(16(17,18)19)6-15(22)20-12/h5-7,9H,3-4,8H2,1-2H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	17	-46.1	n/a	n/a	3.20	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18217 ((2S)-2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoro...) Show SMILES CC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11/h3-5,8H,2,6-7H2,1H3,(H,23,25)/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077114 (4-Trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NCCCc3cc12 Show InChI InChI=1S/C13H11F3N2O/c14-13(15,16)9-5-12(19)18-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22556 (2-arylbenzimidazole derivative, 2 | 2-{2-chloro-4-...) Show SMILES CN1CCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1 Show InChI InChI=1S/C23H29ClN4O/c1-16-13-17(2)22-21(14-16)25-23(26-22)19-6-5-18(15-20(19)24)29-12-4-7-28-10-8-27(3)9-11-28/h5-6,13-15H,4,7-12H2,1-3H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	22	-43.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				Bioorg Med Chem Lett 16: 6043-8 (2006) Article DOI: 10.1016/j.bmcl.2006.08.117 BindingDB Entry DOI: 10.7270/Q20P0XB5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077100 (6-Isobutyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H...) Show SMILES CC(C)CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-9(2)5-10-3-4-21-14-8-15-12(6-11(10)14)13(17(18,19)20)7-16(23)22-15/h6-10,21H,3-5H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18212 (1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-...) Show SMILES CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC1CC1)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O2/c1-2-11-9-25-16-7-14-12(5-15(16)23(11)8-10-3-4-10)13(18(19,20)21)6-17(24)22-14/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18206 ((3R)-3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) Show SMILES C[C@@H]1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F |r| Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-23(6-14(16,17)18)11-2-8-9(15(19,20)21)3-13(24)22-10(8)4-12(11)25-7/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	-45.1	n/a	n/a	7.80	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22562 (2-arylbenzimidazole derivative, 8 | 5-tert-butyl-2...) Show SMILES CN1CCN(CCCOc2ccc(cc2C)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1 Show InChI InChI=1S/C26H36N4O/c1-19-17-20(25-27-22-9-8-21(26(2,3)4)18-23(22)28-25)7-10-24(19)31-16-6-11-30-14-12-29(5)13-15-30/h7-10,17-18H,6,11-16H2,1-5H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	26	-43.3	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				Bioorg Med Chem Lett 16: 6043-8 (2006) Article DOI: 10.1016/j.bmcl.2006.08.117 BindingDB Entry DOI: 10.7270/Q20P0XB5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22560 (2-arylbenzimidazole derivative, 6 | 5-tert-butyl-2...) Show SMILES CN1CCCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1 Show InChI InChI=1S/C26H35ClN4O/c1-26(2,3)20-8-9-22-23(18-20)29-25(28-22)19-7-10-24(21(27)17-19)32-16-6-13-31-12-5-11-30(4)14-15-31/h7-10,17-18H,5-6,11-16H2,1-4H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	26	-43.3	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				Bioorg Med Chem Lett 16: 6043-8 (2006) Article DOI: 10.1016/j.bmcl.2006.08.117 BindingDB Entry DOI: 10.7270/Q20P0XB5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18221 ((15R)-7-(trifluoromethyl)-17-oxa-4,11-diazatetracy...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3OC[C@H]4CCCN4c3cc12 |r| Show InChI InChI=1S/C15H13F3N2O2/c16-15(17,18)10-5-14(21)19-11-6-13-12(4-9(10)11)20-3-1-2-8(20)7-22-13/h4-6,8H,1-3,7H2,(H,19,21)/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50403736 (CHEMBL2113261) Show SMILES CC[C@@H]1[C@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(22)21-14/h4-6,8-9,20H,3,7H2,1-2H3,(H,21,22)/t8-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22558 (2-arylbenzimidazole derivative, 4 | 4-{2-chloro-4-...) Show SMILES CN1CCN(CCCOc2ccc(-c3nc4c(ccc5ccccc45)[nH]3)c(Cl)c2)CC1 Show InChI InChI=1S/C25H27ClN4O/c1-29-12-14-30(15-13-29)11-4-16-31-19-8-9-21(22(26)17-19)25-27-23-10-7-18-5-2-3-6-20(18)24(23)28-25/h2-3,5-10,17H,4,11-16H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	28	-43.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				Bioorg Med Chem Lett 16: 6043-8 (2006) Article DOI: 10.1016/j.bmcl.2006.08.117 BindingDB Entry DOI: 10.7270/Q20P0XB5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077113 (6-Propyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-p...) Show SMILES CCCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-2-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(22)21-14/h6-9,20H,2-5H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18204 (3-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethy...) Show SMILES CCC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-24(7-15(17,18)19)12-3-9-10(16(20,21)22)4-14(25)23-11(9)5-13(12)26-8/h3-5,8H,2,6-7H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	30	-44.7	n/a	n/a	15	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18200 (1,3-dimethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-qu...) Show SMILES CC1CN(C)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O2/c1-7-6-19(2)11-3-8-9(14(15,16)17)4-13(20)18-10(8)5-12(11)21-7/h3-5,7H,6H2,1-2H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	33	-44.4	n/a	n/a	47	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18203 (1,3-diethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-qui...) Show SMILES CCC1CN(CC)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O2/c1-3-9-8-21(4-2)13-5-10-11(16(17,18)19)6-15(22)20-12(10)7-14(13)23-9/h5-7,9H,3-4,8H2,1-2H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	-44.3	n/a	n/a	31	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22555 (2-arylbenzimidazole derivative, 1 | 2-{2-chloro-4-...) Show SMILES CN1CCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1 Show InChI InChI=1S/C23H29ClN4O/c1-16-5-8-21-22(17(16)2)26-23(25-21)19-7-6-18(15-20(19)24)29-14-4-9-28-12-10-27(3)11-13-28/h5-8,15H,4,9-14H2,1-3H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	46	-41.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				Bioorg Med Chem Lett 16: 6043-8 (2006) Article DOI: 10.1016/j.bmcl.2006.08.117 BindingDB Entry DOI: 10.7270/Q20P0XB5
					More data for this Ligand-Target Pair

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