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BDBM50442125 CHEMBL2441107

SMILES: COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1

InChI Key: InChIKey=CRULTPXBZBEKFC-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50442125   
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


(Mus musculus)
BDBM50442125
PNG
(CHEMBL2441107)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H17NO4/c1-24-19-4-2-3-14(13-19)20(23)21-15-5-9-17(10-6-15)25-18-11-7-16(22)8-12-18/h2-13,22H,1H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in mouse SC3 cells assessed as inhibition of DHT-induced cell growth after 3 days by CCK-8/WST-8 assay


ACS Med Chem Lett 4: 937-41 (2013)


Article DOI: 10.1021/ml4001744
BindingDB Entry DOI: 10.7270/Q2DF6SN4
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50442125
PNG
(CHEMBL2441107)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H17NO4/c1-24-19-4-2-3-14(13-19)20(23)21-15-5-9-17(10-6-15)25-18-11-7-16(22)8-12-18/h2-13,22H,1H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human GST-tagged androgen receptor LBD (627 to 919) expressed in Escherichia coli HB-101 after 15 hrs by liquid scintil...


ACS Med Chem Lett 4: 937-41 (2013)


Article DOI: 10.1021/ml4001744
BindingDB Entry DOI: 10.7270/Q2DF6SN4
More data for this
Ligand-Target Pair