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BDBM50428556 CHEMBL2337508

SMILES: OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1

InChI Key: InChIKey=APGSUVBRVVNRPJ-UHFFFAOYSA-N

Data: 2 IC50  1 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 = 50428556   
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))
BDBM50428556
PNG
(CHEMBL2337508)
Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C17H14ClFN2O/c18-16-9-15(6-1-12(16)10-20)21-8-7-17(22,11-21)13-2-4-14(19)5-3-13/h1-6,9,22H,7-8,11H2
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428556
PNG
(CHEMBL2337508)
Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C17H14ClFN2O/c18-16-9-15(6-1-12(16)10-20)21-8-7-17(22,11-21)13-2-4-14(19)5-3-13/h1-6,9,22H,7-8,11H2
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 68n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428556
PNG
(CHEMBL2337508)
Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C17H14ClFN2O/c18-16-9-15(6-1-12(16)10-20)21-8-7-17(22,11-21)13-2-4-14(19)5-3-13/h1-6,9,22H,7-8,11H2
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>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair