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SMILES: CC1(C)N(OCC#CCCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=ZBCPBUGUAUEIRH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50410198   
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))		BDBM50410198
PNG
(CHEMBL2113036)
Show SMILES CC1(C)N(OCC#CCCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O5/c1-24(2)22(35)31(17-9-8-16(14-29)19(13-17)25(26,27)28)23(36)32(24)37-11-5-3-4-6-15-7-10-20(33)18(12-15)21(30)34/h7-10,12-13,33H,4,6,11H2,1-2H3,(H2,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Similars
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate

J Med Chem 47: 5690-9 (2004)


Article DOI: 10.1021/jm0495226
BindingDB Entry DOI: 10.7270/Q2X066HG
More data for this
Ligand-Target Pair