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SMILES: C[C@](O)(COc1ccccc1)C(=O)N1CCc2c1cccc2C#N

InChI Key: InChIKey=LSZVTFLMUXBNKI-IBGZPJMESA-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 3 hits for monomerid = 50007599   
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))
BDBM50007599
PNG
(CHEMBL3238273)
Show SMILES C[C@](O)(COc1ccccc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H18N2O3/c1-19(23,13-24-15-7-3-2-4-8-15)18(22)21-11-10-16-14(12-20)6-5-9-17(16)21/h2-9,23H,10-11,13H2,1H3/t19-/m0/s1
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressing human AR-LBD (644-919 aa) assessed as N/C-termini interaction by a...


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50007599
PNG
(CHEMBL3238273)
Show SMILES C[C@](O)(COc1ccccc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H18N2O3/c1-19(23,13-24-15-7-3-2-4-8-15)18(22)21-11-10-16-14(12-20)6-5-9-17(16)21/h2-9,23H,10-11,13H2,1H3/t19-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50007599
PNG
(CHEMBL3238273)
Show SMILES C[C@](O)(COc1ccccc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H18N2O3/c1-19(23,13-24-15-7-3-2-4-8-15)18(22)21-11-10-16-14(12-20)6-5-9-17(16)21/h2-9,23H,10-11,13H2,1H3/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 689n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair