Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50098986'   

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 (Rattus norvegicus (Rat))	BDBM50098986 (4-{3-[3-(3-Iodo-phenyl)-propyl]-4,4-dimethyl-2,5-d...) Show SMILES CC1(C)N(CCCc2cccc(I)c2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H19F3IN3O2/c1-21(2)19(30)29(17-9-8-15(13-27)18(12-17)22(23,24)25)20(31)28(21)10-4-6-14-5-3-7-16(26)11-14/h3,5,7-9,11-12H,4,6,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50098986 (4-{3-[3-(3-Iodo-phenyl)-propyl]-4,4-dimethyl-2,5-d...) Show SMILES CC1(C)N(CCCc2cccc(I)c2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H19F3IN3O2/c1-21(2)19(30)29(17-9-8-15(13-27)18(12-17)22(23,24)25)20(31)28(21)10-4-6-14-5-3-7-16(26)11-14/h3,5,7-9,11-12H,4,6,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSC-Scientific Computing Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostate				J Med Chem 48: 917-25 (2005) Article DOI: 10.1021/jm0495879 BindingDB Entry DOI: 10.7270/Q2SJ1PBD
					More data for this Ligand-Target Pair