Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50459871'   

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))	BDBM50459871 (CHEMBL4226314) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(CCc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C45H58ClN7O7/c1-30(2)26-41(51-45(57)42(54)40(48)27-34-8-6-5-7-9-34)44(56)50-19-21-59-23-25-60-24-22-58-20-18-49-43(55)35-13-10-33(11-14-35)12-17-38-31(3)52-53(32(38)4)37-16-15-36(29-47)39(46)28-37/h5-11,13-16,28,30,40-42,54H,12,17-27,48H2,1-4H3,(H,49,55)(H,50,56)(H,51,57)/t40-,41+,42+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-H-3] mibolerone from wild-type androgen receptor (unknown origin) expressed in human Freestyle293F cells measured af...				J Med Chem 61: 543-575 (2018) Article DOI: 10.1021/acs.jmedchem.7b00168 BindingDB Entry DOI: 10.7270/Q2VT1VR7
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