BindingDB logo
myBDB logout

BDBM50238124 CHEMBL4060271

SMILES: C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(Cl)c1C

InChI Key: InChIKey=SNXSUBYHKSATAO-HZMBPMFUSA-N

Data: 2 IC50

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 2 hits for monomerid = 50238124   
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))
BDBM50238124
PNG
(CHEMBL4060271)
Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(Cl)c1C |r|
Show InChI InChI=1S/C14H17ClN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1
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 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor (unknown origin) expressed in African green monkey COS7 cells after 24 hrs by MMTV-promoter driven luciferase r...


Bioorg Med Chem Lett 27: 1897-1901 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.038
BindingDB Entry DOI: 10.7270/Q2G16335
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50238124
PNG
(CHEMBL4060271)
Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(Cl)c1C |r|
Show InChI InChI=1S/C14H17ClN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1
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 0.490n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-H-3] mibolerone from wild-type androgen receptor (unknown origin) expressed in Freestyle293F cells measured after 3 ...


Bioorg Med Chem Lett 27: 1897-1901 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.038
BindingDB Entry DOI: 10.7270/Q2G16335
More data for this
Ligand-Target Pair