new BindingDB logo
myBDB logout

BDBM50007609 CHEMBL3238283

SMILES: COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1

InChI Key: InChIKey=GCUMDODJOAYRHG-NRFANRHFSA-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 = 50007609   
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))
BDBM50007609
PNG
(CHEMBL3238283)
Show SMILES COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r|
Show InChI InChI=1S/C21H20N2O5/c1-21(26,13-28-16-8-6-14(7-9-16)19(24)27-2)20(25)23-11-10-17-15(12-22)4-3-5-18(17)23/h3-9,26H,10-11,13H2,1-2H3/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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))
BDBM50007609
PNG
(CHEMBL3238283)
Show SMILES COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r|
Show InChI InChI=1S/C21H20N2O5/c1-21(26,13-28-16-8-6-14(7-9-16)19(24)27-2)20(25)23-11-10-17-15(12-22)4-3-5-18(17)23/h3-9,26H,10-11,13H2,1-2H3/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 133n/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))
BDBM50007609
PNG
(CHEMBL3238283)
Show SMILES COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r|
Show InChI InChI=1S/C21H20N2O5/c1-21(26,13-28-16-8-6-14(7-9-16)19(24)27-2)20(25)23-11-10-17-15(12-22)4-3-5-18(17)23/h3-9,26H,10-11,13H2,1-2H3/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 6.80n/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