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BDBM50069071 (5bR,9aR)-4-Trifluoromethyl-1,5b,6,7,8,9,9a,10-octahydro-pyrido[2,3-b]carbazol-2-one::CHEMBL350932

SMILES: FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12

InChI Key: InChIKey=AECUUHUGTSTYSJ-PRHODGIISA-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 = 50069071   
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))
BDBM50069071
PNG
((5bR,9aR)-4-Trifluoromethyl-1,5b,6,7,8,9,9a,10-oct...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12
Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)11-6-15(22)21-14-7-13-9(5-10(11)14)8-3-1-2-4-12(8)20-13/h5-8,12,20H,1-4H2,(H,21,22)/t8-,12-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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5n/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))
BDBM50069071
PNG
((5bR,9aR)-4-Trifluoromethyl-1,5b,6,7,8,9,9a,10-oct...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12
Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)11-6-15(22)21-14-7-13-9(5-10(11)14)8-3-1-2-4-12(8)20-13/h5-8,12,20H,1-4H2,(H,21,22)/t8-,12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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antibodypedia
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PC cid
PC sid
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PubMed
n/an/an/an/a 5n/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))
BDBM50069071
PNG
((5bR,9aR)-4-Trifluoromethyl-1,5b,6,7,8,9,9a,10-oct...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12
Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)11-6-15(22)21-14-7-13-9(5-10(11)14)8-3-1-2-4-12(8)20-13/h5-8,12,20H,1-4H2,(H,21,22)/t8-,12-/m1/s1
PDB
MMDB

KEGG

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n/an/a 2.00E+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))
BDBM50069071
PNG
((5bR,9aR)-4-Trifluoromethyl-1,5b,6,7,8,9,9a,10-oct...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12
Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)11-6-15(22)21-14-7-13-9(5-10(11)14)8-3-1-2-4-12(8)20-13/h5-8,12,20H,1-4H2,(H,21,22)/t8-,12-/m1/s1
PDB

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n/an/a>1.00E+4n/an/an/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50069071
PNG
((5bR,9aR)-4-Trifluoromethyl-1,5b,6,7,8,9,9a,10-oct...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12
Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)11-6-15(22)21-14-7-13-9(5-10(11)14)8-3-1-2-4-12(8)20-13/h5-8,12,20H,1-4H2,(H,21,22)/t8-,12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 170n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50069071
PNG
((5bR,9aR)-4-Trifluoromethyl-1,5b,6,7,8,9,9a,10-oct...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12
Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)11-6-15(22)21-14-7-13-9(5-10(11)14)8-3-1-2-4-12(8)20-13/h5-8,12,20H,1-4H2,(H,21,22)/t8-,12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.80E+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