new BindingDB logo
myBDB logout

BDBM50069069 (5bR,9aR)-1-Methyl-4-trifluoromethyl-1,5b,6,7,8,9,9a,10-octahydro-pyrido[2,3-b]carbazol-2-one::CHEMBL163425

SMILES: Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F

InChI Key: InChIKey=YXFRGFFRCABTFT-NOZJJQNGSA-N

Data: 1 KI  4 IC50  1 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 6 hits for monomerid = 50069069   
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))
BDBM50069069
PNG
((5bR,9aR)-1-Methyl-4-trifluoromethyl-1,5b,6,7,8,9,...)
Show SMILES Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-22-15-8-14-10(9-4-2-3-5-13(9)21-14)6-11(15)12(7-16(22)23)17(18,19)20/h6-9,13,21H,2-5H2,1H3/t9-,13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Androgen receptor transfected into COS cells


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50069069
PNG
((5bR,9aR)-1-Methyl-4-trifluoromethyl-1,5b,6,7,8,9,...)
Show SMILES Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-22-15-8-14-10(9-4-2-3-5-13(9)21-14)6-11(15)12(7-16(22)23)17(18,19)20/h6-9,13,21H,2-5H2,1H3/t9-,13-/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 10n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50069069
PNG
((5bR,9aR)-1-Methyl-4-trifluoromethyl-1,5b,6,7,8,9,...)
Show SMILES Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-22-15-8-14-10(9-4-2-3-5-13(9)21-14)6-11(15)12(7-16(22)23)17(18,19)20/h6-9,13,21H,2-5H2,1H3/t9-,13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity against hMR in cotransfected CV-1 cell


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50069069
PNG
((5bR,9aR)-1-Methyl-4-trifluoromethyl-1,5b,6,7,8,9,...)
Show SMILES Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-22-15-8-14-10(9-4-2-3-5-13(9)21-14)6-11(15)12(7-16(22)23)17(18,19)20/h6-9,13,21H,2-5H2,1H3/t9-,13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Androgen receptor transfected into COS cells


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50069069
PNG
((5bR,9aR)-1-Methyl-4-trifluoromethyl-1,5b,6,7,8,9,...)
Show SMILES Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-22-15-8-14-10(9-4-2-3-5-13(9)21-14)6-11(15)12(7-16(22)23)17(18,19)20/h6-9,13,21H,2-5H2,1H3/t9-,13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity against Glucocorticoid receptor in cotransfected CV-1 cell


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50069069
PNG
((5bR,9aR)-1-Methyl-4-trifluoromethyl-1,5b,6,7,8,9,...)
Show SMILES Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-22-15-8-14-10(9-4-2-3-5-13(9)21-14)6-11(15)12(7-16(22)23)17(18,19)20/h6-9,13,21H,2-5H2,1H3/t9-,13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 150n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity against hPR in cotransfected CV-1 cell


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair