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SMILES: CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccccn5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O

InChI Key: InChIKey=PWDQXQVTQXZIAJ-FPXNRHASSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50296940   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Androgen receptor


(Homo sapiens (Human))		BDBM50296940
PNG
(16-(Pyridin-2-ylmethylidene)-17beta-hydroxy-4-meth...)
Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccccn5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
Show InChI InChI=1S/C25H32N2O2/c1-24-12-10-22(28)27(3)21(24)8-7-18-19(24)9-11-25(2)20(18)15-16(23(25)29)14-17-6-4-5-13-26-17/h4-6,10,12-14,18-21,23,29H,7-9,11,15H2,1-3H3/b16-14+/t18-,19+,20+,21-,23+,24-,25+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 292n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from androgen receptor in human MDA-MB-453 cells

J Med Chem 52: 4578-81 (2009)


Article DOI: 10.1021/jm900880r
BindingDB Entry DOI: 10.7270/Q2K35TPQ
More data for this
Ligand-Target Pair