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BDBM50063096 1,8,8,9-Tetramethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one::CHEMBL435651

SMILES: CN1c2cc3n(C)c(=O)cc(c3cc2CCC1(C)C)C(F)(F)F

InChI Key: InChIKey=MRXBSJZWWYDSFJ-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50063096   
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))
BDBM50063096
PNG
(1,8,8,9-Tetramethyl-4-trifluoromethyl-6,7,8,9-tetr...)
Show SMILES CN1c2cc3n(C)c(=O)cc(c3cc2CCC1(C)C)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-16(2)6-5-10-7-11-12(17(18,19)20)8-15(23)21(3)14(11)9-13(10)22(16)4/h7-9H,5-6H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50063096
PNG
(1,8,8,9-Tetramethyl-4-trifluoromethyl-6,7,8,9-tetr...)
Show SMILES CN1c2cc3n(C)c(=O)cc(c3cc2CCC1(C)C)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-16(2)6-5-10-7-11-12(17(18,19)20)8-15(23)21(3)14(11)9-13(10)22(16)4/h7-9H,5-6H2,1-4H3
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 19n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50063096
PNG
(1,8,8,9-Tetramethyl-4-trifluoromethyl-6,7,8,9-tetr...)
Show SMILES CN1c2cc3n(C)c(=O)cc(c3cc2CCC1(C)C)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-16(2)6-5-10-7-11-12(17(18,19)20)8-15(23)21(3)14(11)9-13(10)22(16)4/h7-9H,5-6H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human progesterone receptor B (hPR-B) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair