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BDBM50403731 CHEMBL2112216

SMILES: CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F

InChI Key: InChIKey=PQVATNBHWHZLJI-BDAKNGLRSA-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 = 50403731   
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))
BDBM50403731
PNG
(CHEMBL2112216)
Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(21)22-14/h5-9,20H,3-4H2,1-2H3/t8-,9+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 12n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403731
PNG
(CHEMBL2112216)
Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(21)22-14/h5-9,20H,3-4H2,1-2H3/t8-,9+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 27n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403731
PNG
(CHEMBL2112216)
Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(21)22-14/h5-9,20H,3-4H2,1-2H3/t8-,9+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 16n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonistic activity against human androgen receptor using cotransfection assay in CV-1 cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair