Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM445041'   

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))	BDBM445041 (US10668167, Compound 51) Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)c(O)c1 |r,c:15,t:11| Show InChI InChI=1S/C34H35F2NO8/c1-31-10-9-19(39)12-23(31)24(35)13-22-21-14-29-34(28(42)16-38,32(21,2)15-27(41)33(22,31)36)45-30(44-29)17-3-8-26(25(40)11-17)43-20-6-4-18(37)5-7-20/h3-12,21-22,24,27,29-30,38,40-41H,13-16,37H2,1-2H3/t21-,22-,24-,27-,29+,30+,31-,32-,33-,34+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description Small molecules were tested for androgen receptor (AR) binding using a modification of the LanthaScreen® TR-FRET Androgen Receptor Coactivator Assay ...				US Patent US10668167 (2020) BindingDB Entry DOI: 10.7270/Q2B56NSW
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