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BDBM50007589 CHEMBL3238290

SMILES: Cc1cc(F)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N

InChI Key: InChIKey=AMSHGNLYOCWZQJ-FQEVSTJZSA-N

Data: 1 IC50  2 EC50

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 = 50007589   
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))
BDBM50007589
PNG
(CHEMBL3238290)
Show SMILES Cc1cc(F)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H19FN2O3/c1-13-10-15(21)6-7-18(13)26-12-20(2,25)19(24)23-9-8-16-14(11-22)4-3-5-17(16)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10n/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
Androgen Receptor


(Homo sapiens (Human))
BDBM50007589
PNG
(CHEMBL3238290)
Show SMILES Cc1cc(F)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H19FN2O3/c1-13-10-15(21)6-7-18(13)26-12-20(2,25)19(24)23-9-8-16-14(11-22)4-3-5-17(16)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/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))
BDBM50007589
PNG
(CHEMBL3238290)
Show SMILES Cc1cc(F)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H19FN2O3/c1-13-10-15(21)6-7-18(13)26-12-20(2,25)19(24)23-9-8-16-14(11-22)4-3-5-17(16)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 72n/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