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BDBM50469122 CHEMBL4278637

SMILES: [#8]-c1cccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c1

InChI Key: InChIKey=KGQNBZACENOOOR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50469122   
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))
BDBM50469122
PNG
(CHEMBL4278637)
Show SMILES [#8]-c1cccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c1
Show InChI InChI=1S/C21H14O2/c22-15-7-5-6-14(12-15)13-20-16-8-1-3-10-18(16)21(23)19-11-4-2-9-17(19)20/h1-13,22H
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 316n/an/an/an/an/an/a



Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Inhibition of R1881-induced full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct after 72 hrs by fluorescence ...


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50469122
PNG
(CHEMBL4278637)
Show SMILES [#8]-c1cccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c1
Show InChI InChI=1S/C21H14O2/c22-15-7-5-6-14(12-15)13-20-16-8-1-3-10-18(16)21(23)19-11-4-2-9-17(19)20/h1-13,22H
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<1.00E+4n/an/an/an/an/an/a



Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Inhibition of R1881-induced transcriptional activity of human AR V7 truncated mutant expressed in human PC3 cells harboring pGL3-ARR3tk-NLuc after 24...


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50469122
PNG
(CHEMBL4278637)
Show SMILES [#8]-c1cccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c1
Show InChI InChI=1S/C21H14O2/c22-15-7-5-6-14(12-15)13-20-16-8-1-3-10-18(16)21(23)19-11-4-2-9-17(19)20/h1-13,22H
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 350n/an/an/an/an/an/a



Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Inhibition of full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct assessed as reduction in R1881-induced secr...


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair
Androgen Receptor


(Rattus norvegicus (Rat))
BDBM50469122
PNG
(CHEMBL4278637)
Show SMILES [#8]-c1cccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c1
Show InChI InChI=1S/C21H14O2/c22-15-7-5-6-14(12-15)13-20-16-8-1-3-10-18(16)21(23)19-11-4-2-9-17(19)20/h1-13,22H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 625n/an/an/an/an/an/a



Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Displacement of Fluormone-DHT from rat GST-tagged rat AR LBD expressed in insect cells after 4 hrs by fluorescence polarization assay


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair