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

InChI Key: InChIKey=GQTKYRSGBNQPSZ-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 = 50366223   
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))
BDBM50366223
PNG
(CHEMBL1957610)
Show SMILES Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C23H23ClN4O3/c1-14-21(15(2)28(27-14)18-8-5-17(12-25)20(24)11-18)31-19-9-6-16(7-10-19)22(29)26-13-23(3,4)30/h5-11,30H,13H2,1-4H3,(H,26,29)
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Article
PubMed
n/an/a 1.10E+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))
BDBM50366223
PNG
(CHEMBL1957610)
Show SMILES Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C23H23ClN4O3/c1-14-21(15(2)28(27-14)18-8-5-17(12-25)20(24)11-18)31-19-9-6-16(7-10-19)22(29)26-13-23(3,4)30/h5-11,30H,13H2,1-4H3,(H,26,29)
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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 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))
BDBM50366223
PNG
(CHEMBL1957610)
Show SMILES Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C23H23ClN4O3/c1-14-21(15(2)28(27-14)18-8-5-17(12-25)20(24)11-18)31-19-9-6-16(7-10-19)22(29)26-13-23(3,4)30/h5-11,30H,13H2,1-4H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.80E+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