Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50042771   

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 (Mus musculus)	BDBM50430750 (CHEMBL2334345) Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 |r| Show InChI InChI=1S/C27H42O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,26,28-30H,8-9,16-18H2,1-7H3/t21-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...				Bioorg Med Chem 21: 1643-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.060 BindingDB Entry DOI: 10.7270/Q2028SXZ
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50430749 (CHEMBL2334724) Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r| Show InChI InChI=1S/C27H40O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,28-29H,8-9,16-18H2,1-7H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...				Bioorg Med Chem 21: 1643-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.060 BindingDB Entry DOI: 10.7270/Q2028SXZ
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM35909 (2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...) Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...				Bioorg Med Chem 21: 1643-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.060 BindingDB Entry DOI: 10.7270/Q2028SXZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Mus musculus)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...				Bioorg Med Chem 21: 1643-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.060 BindingDB Entry DOI: 10.7270/Q2028SXZ
					More data for this Ligand-Target Pair				3D Structure (crystal)