Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'palvimo' and Initial = 'jj'   

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
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004836 (CHEMBL2324047) Show SMILES Clc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:8| Show InChI InChI=1S/C16H14ClNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004877 (CHEMBL2324088) Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:9| Show InChI InChI=1S/C17H17NO2/c1-19-15-9-7-14(8-10-15)17-12-16(20-18-17)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004876 (CHEMBL2324042) Show SMILES Fc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:8| Show InChI InChI=1S/C16H14FNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004875 (CHEMBL2324086) Show SMILES COc1cccc(c1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:9| Show InChI InChI=1S/C17H17NO2/c1-19-15-9-5-8-14(11-15)17-12-16(20-18-17)10-13-6-3-2-4-7-13/h2-9,11,16H,10,12H2,1H3/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004874 (CHEMBL2324045) Show SMILES Clc1ccccc1C1=NOC(Cc2ccccc2)O1 |t:8| Show InChI InChI=1S/C15H12ClNO2/c16-13-9-5-4-8-12(13)15-17-19-14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004873 (CHEMBL2324053) Show SMILES [O-][N+](=O)c1ccc(cc1)C1=NOC(Cc2ccccc2)C1 |t:10| Show InChI InChI=1S/C16H14N2O3/c19-18(20)14-8-6-13(7-9-14)16-11-15(21-17-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004872 (CHEMBL2324097) Show SMILES Oc1cccc(c1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:8| Show InChI InChI=1S/C16H15NO2/c18-14-8-4-7-13(10-14)16-11-15(19-17-16)9-12-5-2-1-3-6-12/h1-8,10,15,18H,9,11H2/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004871 (CHEMBL2324068) Show SMILES Fc1ccc(C[C@@H]2CC(=NO2)c2ccc(Cl)cc2)cc1 |r,c:8| Show InChI InChI=1S/C16H13ClFNO/c17-13-5-3-12(4-6-13)16-10-15(20-19-16)9-11-1-7-14(18)8-2-11/h1-8,15H,9-10H2/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004870 (CHEMBL2324051) Show SMILES N#Cc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:9| Show InChI InChI=1S/C17H14N2O/c18-12-14-6-8-15(9-7-14)17-11-16(20-19-17)10-13-4-2-1-3-5-13/h1-9,16H,10-11H2/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004869 (CHEMBL2324082) Show SMILES COc1ccccc1C1=NO[C@H](Cc2ccccc2)C1 |r,t:9| Show InChI InChI=1S/C17H17NO2/c1-19-17-10-6-5-9-15(17)16-12-14(20-18-16)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004868 (CHEMBL2324044) Show SMILES Clc1ccccc1C1=NOC(Cc2ccccc2)C1 |t:8| Show InChI InChI=1S/C16H14ClNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004865 (CHEMBL2324104) Show SMILES Fc1cccc(c1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:8| Show InChI InChI=1S/C16H14FNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004866 (CHEMBL2324101) Show SMILES Fc1ccccc1C1=NO[C@H](Cc2ccccc2)C1 |r,t:8| Show InChI InChI=1S/C16H14FNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004867 (CHEMBL2324092) Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)O1 |r,t:9| Show InChI InChI=1S/C16H15NO3/c1-18-14-9-7-13(8-10-14)16-17-20-15(19-16)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004864 (CHEMBL2324058) Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2cccc(OC)c2)C1 |r,t:9| Show InChI InChI=1S/C18H19NO3/c1-20-15-8-6-14(7-9-15)18-12-17(22-19-18)11-13-4-3-5-16(10-13)21-2/h3-10,17H,11-12H2,1-2H3/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004862 (CHEMBL2324076) Show SMILES C([C@@H]1CC(=NO1)c1ccccc1)c1ccccc1 |r,c:3| Show InChI InChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004861 (CHEMBL2324056) Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2ccccc2OC)C1 |r,t:9| Show InChI InChI=1S/C18H19NO3/c1-20-15-9-7-13(8-10-15)17-12-16(22-19-17)11-14-5-3-4-6-18(14)21-2/h3-10,16H,11-12H2,1-2H3/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004860 (CHEMBL2324095) Show SMILES Oc1ccccc1C1=NO[C@H](Cc2ccccc2)C1 |r,t:8| Show InChI InChI=1S/C16H15NO2/c18-16-9-5-4-8-14(16)15-11-13(19-17-15)10-12-6-2-1-3-7-12/h1-9,13,18H,10-11H2/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073104 (CHEMBL3410856) Show SMILES Cc1c(Cl)c(ccc1N1C2CCC1CC(C)(O)C2)C#N |TLB:16:14:8:10.11,THB:15:14:8:10.11| Show InChI InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3	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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073104 (CHEMBL3410856) Show SMILES Cc1c(Cl)c(ccc1N1C2CCC1CC(C)(O)C2)C#N |TLB:16:14:8:10.11,THB:15:14:8:10.11| Show InChI InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3	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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004859 (CHEMBL2324084) Show SMILES COc1ccccc1C1=NO[C@H](Cc2ccccc2)O1 |r,t:9| Show InChI InChI=1S/C16H15NO3/c1-18-14-10-6-5-9-13(14)16-17-20-15(19-16)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004858 (CHEMBL2324103) Show SMILES Fc1ccccc1C1=NOC(Cc2ccccc2)O1 |t:8| Show InChI InChI=1S/C15H12FNO2/c16-13-9-5-4-8-12(13)15-17-19-14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	4.57	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004857 (CHEMBL2324093) Show SMILES COc1ccc(cc1)C1=NO[C@@H](Cc2ccccc2)O1 |r,t:9| Show InChI InChI=1S/C16H15NO3/c1-18-14-9-7-13(8-10-14)16-17-20-15(19-16)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004856 (CHEMBL2324054) Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2ccc(F)cc2)C1 |r,t:9| Show InChI InChI=1S/C17H16FNO2/c1-20-15-8-4-13(5-9-15)17-11-16(21-19-17)10-12-2-6-14(18)7-3-12/h2-9,16H,10-11H2,1H3/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004855 (CHEMBL2324090) Show SMILES COc1ccc(cc1)C1=NO[C@H](CCc2ccccc2)C1 |r,t:9| Show InChI InChI=1S/C18H19NO2/c1-20-16-11-8-15(9-12-16)18-13-17(21-19-18)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17H,7,10,13H2,1H3/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004854 (CHEMBL2324046) Show SMILES Clc1cccc(c1)C1=NOC(Cc2ccccc2)C1 |t:8| Show InChI InChI=1S/C16H14ClNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004853 (CHEMBL2324062) Show SMILES COc1ccccc1CC1CC(=NO1)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C17H16ClNO2/c1-20-17-5-3-2-4-13(17)10-15-11-16(19-21-15)12-6-8-14(18)9-7-12/h2-9,15H,10-11H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004851 (CHEMBL2324063) Show SMILES COc1cccc(C[C@@H]2CC(=NO2)c2ccc(Cl)cc2)c1 |r,c:10| Show InChI InChI=1S/C17H16ClNO2/c1-20-15-4-2-3-12(9-15)10-16-11-17(19-21-16)13-5-7-14(18)8-6-13/h2-9,16H,10-11H2,1H3/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004850 (CHEMBL2324094) Show SMILES COc1ccc(cc1)C1=NOC(C)(Cc2ccccc2)C1 |t:9| Show InChI InChI=1S/C18H19NO2/c1-18(12-14-6-4-3-5-7-14)13-17(19-21-18)15-8-10-16(20-2)11-9-15/h3-11H,12-13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393821 (CHEMBL2159566) Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCC12 |t:13| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)12-7-9(5-6-10(12)8-19)14-11-3-1-2-4-13(11)21-20-14/h5-7,11,13H,1-4H2	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	27.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073109 (CHEMBL3410851) Show SMILES [H][C@]12CC[C@@]([H])(CC(C)(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@:7,TLB:8:7:11:2.3,THB:9:7:11:2.3| Show InChI InChI=1S/C16H17F3N2O/c1-15(22)7-12-4-5-13(8-15)21(12)11-3-2-10(9-20)14(6-11)16(17,18)19/h2-3,6,12-13,22H,4-5,7-8H2,1H3/t12-,13-/m0/s1	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	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073109 (CHEMBL3410851) Show SMILES [H][C@]12CC[C@@]([H])(CC(C)(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@:7,TLB:8:7:11:2.3,THB:9:7:11:2.3| Show InChI InChI=1S/C16H17F3N2O/c1-15(22)7-12-4-5-13(8-15)21(12)11-3-2-10(9-20)14(6-11)16(17,18)19/h2-3,6,12-13,22H,4-5,7-8H2,1H3/t12-,13-/m0/s1	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	29.3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073111 (CHEMBL3084689) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](O)C1)N2c1ccc(C#N)c(Cl)c1 |r,TLB:8:7:10:2.3| Show InChI InChI=1S/C14H15ClN2O/c15-14-7-12(2-1-9(14)8-16)17-10-3-4-11(17)6-13(18)5-10/h1-2,7,10-11,13,18H,3-6H2/t10-,11+,13+	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	31.7	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004849 (CHEMBL2324050) Show SMILES CC1(Cc2ccccc2)CC(=NO1)c1ccc(Cl)cc1 |c:11| Show InChI InChI=1S/C17H16ClNO/c1-17(11-13-5-3-2-4-6-13)12-16(19-20-17)14-7-9-15(18)10-8-14/h2-10H,11-12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073111 (CHEMBL3084689) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](O)C1)N2c1ccc(C#N)c(Cl)c1 |r,TLB:8:7:10:2.3| Show InChI InChI=1S/C14H15ClN2O/c15-14-7-12(2-1-9(14)8-16)17-10-3-4-11(17)6-13(18)5-10/h1-2,7,10-11,13,18H,3-6H2/t10-,11+,13+	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	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073110 (CHEMBL3410850) Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@:7| Show InChI InChI=1S/C15H15F3N2O/c16-15(17,18)14-7-12(2-1-9(14)8-19)20-10-3-4-11(20)6-13(21)5-10/h1-2,7,10-11,13,21H,3-6H2/t10-,11-/m0/s1	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	39.8	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073110 (CHEMBL3410850) Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@:7| Show InChI InChI=1S/C15H15F3N2O/c16-15(17,18)14-7-12(2-1-9(14)8-19)20-10-3-4-11(20)6-13(21)5-10/h1-2,7,10-11,13,21H,3-6H2/t10-,11-/m0/s1	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	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393813 (CHEMBL2159561) Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCCC12 |t:13| Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)13-8-10(6-7-11(13)9-20)15-12-4-2-1-3-5-14(12)22-21-15/h6-8,12,14H,1-5H2	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	43.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393819 (CHEMBL2159568) Show SMILES FC(F)(F)c1c(cccc1C1=NOC2CCCCC12)C#N |t:11| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-9(8-19)4-3-6-11(13)14-10-5-1-2-7-12(10)21-20-14/h3-4,6,10,12H,1-2,5,7H2	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	64.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393819 (CHEMBL2159568) Show SMILES FC(F)(F)c1c(cccc1C1=NOC2CCCCC12)C#N |t:11| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-9(8-19)4-3-6-11(13)14-10-5-1-2-7-12(10)21-20-14/h3-4,6,10,12H,1-2,5,7H2	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	64.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073108 (CHEMBL3410852) Show SMILES FC(F)(F)c1cc(ccc1C#N)N1C2CCC1CC(=O)C2 Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)14-7-12(2-1-9(14)8-19)20-10-3-4-11(20)6-13(21)5-10/h1-2,7,10-11H,3-6H2	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	66	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073108 (CHEMBL3410852) Show SMILES FC(F)(F)c1cc(ccc1C#N)N1C2CCC1CC(=O)C2 Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)14-7-12(2-1-9(14)8-19)20-10-3-4-11(20)6-13(21)5-10/h1-2,7,10-11H,3-6H2	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	66	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	86.9	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50004848 (CHEMBL2324080) Show SMILES C([C@@H]1CC(=NO1)c1ccc2ccccc2c1)c1ccccc1 |r,c:3| Show InChI InChI=1S/C20H17NO/c1-2-6-15(7-3-1)12-19-14-20(21-22-19)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19H,12,14H2/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay				J Med Chem 56: 1064-73 (2013) Article DOI: 10.1021/jm301516q BindingDB Entry DOI: 10.7270/Q20G3MP0
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50393810 (CHEMBL2159540) Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCCC12 |t:14| Show InChI InChI=1S/C15H15F3N2O3/c16-15(17,18)11-8-9(6-7-12(11)20(21)22)14-10-4-2-1-3-5-13(10)23-19-14/h6-8,10,13H,1-5H2	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	105	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair

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