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SMILES: COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=QHWMJSSCJIDRQU-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50360441   
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))
BDBM50360441
PNG
(CHEMBL1934441)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O2/c1-14-20(17-9-10-18(12-27)19(11-17)23(24,25)26)21(22(29)30-3)15(2)28(14)13-16-7-5-4-6-8-16/h4-11H,13H2,1-3H3
PDB
MMDB

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KEGG

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PC cid
PC sid
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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 human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay


Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50360441
PNG
(CHEMBL1934441)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O2/c1-14-20(17-9-10-18(12-27)19(11-17)23(24,25)26)21(22(29)30-3)15(2)28(14)13-16-7-5-4-6-8-16/h4-11H,13H2,1-3H3
PDB
MMDB

NCI pathway
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs


Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50360441
PNG
(CHEMBL1934441)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O2/c1-14-20(17-9-10-18(12-27)19(11-17)23(24,25)26)21(22(29)30-3)15(2)28(14)13-16-7-5-4-6-8-16/h4-11H,13H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...


Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair