BindingDB logo
myBDB logout

null

SMILES: COC(=O)c1ccc(Cc2c(C)n[nH]c2C)cc1

InChI Key: InChIKey=LWUYTKDBEDTTLY-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50459867   
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))		BDBM50459867
PNG
(CHEMBL4226575)
Show SMILES COC(=O)c1ccc(Cc2c(C)n[nH]c2C)cc1
Show InChI InChI=1S/C14H16N2O2/c1-9-13(10(2)16-15-9)8-11-4-6-12(7-5-11)14(17)18-3/h4-7H,8H2,1-3H3,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor (unknown origin)

J Med Chem 61: 543-575 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00168
BindingDB Entry DOI: 10.7270/Q2VT1VR7
More data for this
Ligand-Target Pair