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BDBM50086525 2,2-Dimethyl-6-trifluoromethyl-1,2,3,4-tetrahydro-pyrido[3,2-g]quinoline::CHEMBL338922

SMILES: CC1(C)CCc2cc3c(ccnc3cc2N1)C(F)(F)F

InChI Key: InChIKey=LSHHHGKAQDRCEB-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50086525   
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))
BDBM50086525
PNG
(2,2-Dimethyl-6-trifluoromethyl-1,2,3,4-tetrahydro-...)
Show SMILES CC1(C)CCc2cc3c(ccnc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2/c1-14(2)5-3-9-7-10-11(15(16,17)18)4-6-19-13(10)8-12(9)20-14/h4,6-8,20H,3,5H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor transfected into mammalian COS-1 cells


Bioorg Med Chem Lett 10: 411-4 (2000)


BindingDB Entry DOI: 10.7270/Q2K073HH
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50086525
PNG
(2,2-Dimethyl-6-trifluoromethyl-1,2,3,4-tetrahydro-...)
Show SMILES CC1(C)CCc2cc3c(ccnc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2/c1-14(2)5-3-9-7-10-11(15(16,17)18)4-6-19-13(10)8-12(9)20-14/h4,6-8,20H,3,5H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 212n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor transfected into mammalian COS-1 cells


Bioorg Med Chem Lett 10: 411-4 (2000)


BindingDB Entry DOI: 10.7270/Q2K073HH
More data for this
Ligand-Target Pair