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SMILES: Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=JJIMFZACOOJEFI-UHFFFAOYSA-N

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 = 50366224   
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))
BDBM50366224
PNG
(CHEMBL1957723)
Show SMILES Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C23H21ClN4O3/c1-15-22(16(2)28(26-15)19-6-3-18(14-25)21(24)13-19)31-20-7-4-17(5-8-20)23(29)27-9-11-30-12-10-27/h3-8,13H,9-12H2,1-2H3
PDB
MMDB

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KEGG

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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


Bioorg Med Chem 20: 2338-52 (2012)


Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50366224
PNG
(CHEMBL1957723)
Show SMILES Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C23H21ClN4O3/c1-15-22(16(2)28(26-15)19-6-3-18(14-25)21(24)13-19)31-20-7-4-17(5-8-20)23(29)27-9-11-30-12-10-27/h3-8,13H,9-12H2,1-2H3
PDB
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KEGG

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PC sid
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Similars

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 androgen receptor expressed in Cos7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 20: 2338-52 (2012)


Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50366224
PNG
(CHEMBL1957723)
Show SMILES Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C23H21ClN4O3/c1-15-22(16(2)28(26-15)19-6-3-18(14-25)21(24)13-19)31-20-7-4-17(5-8-20)23(29)27-9-11-30-12-10-27/h3-8,13H,9-12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h...


Bioorg Med Chem 20: 2338-52 (2012)


Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT
More data for this
Ligand-Target Pair