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BDBM50257284 CHEMBL4072730

SMILES: Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C

InChI Key: InChIKey=IITPEARHXAJQIU-UHFFFAOYSA-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 = 50257284   
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))
BDBM50257284
PNG
(CHEMBL4072730)
Show SMILES Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C
Show InChI InChI=1S/C14H14N2O/c1-9-10(2)14(17)7-5-12(9)13-6-4-11(8-15)16(13)3/h4-7,17H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 35n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257284
PNG
(CHEMBL4072730)
Show SMILES Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C
Show InChI InChI=1S/C14H14N2O/c1-9-10(2)14(17)7-5-12(9)13-6-4-11(8-15)16(13)3/h4-7,17H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257284
PNG
(CHEMBL4072730)
Show SMILES Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C
Show InChI InChI=1S/C14H14N2O/c1-9-10(2)14(17)7-5-12(9)13-6-4-11(8-15)16(13)3/h4-7,17H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair