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BDBM50069065 (2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g]quinolin-7-one::CHEMBL162569

SMILES: C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F

InChI Key: InChIKey=JEKLOWJNFQMNLW-NKWVEPMBSA-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 = 50069065   
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))
BDBM50069065
PNG
((2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tet...)
Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O/c1-6-7(2)18-11-5-12-9(3-8(6)11)10(14(15,16)17)4-13(20)19-12/h3-7,18H,1-2H3,(H,19,20)/t6-,7+/m0/s1
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6n/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)


Article DOI: 10.1016/s0960-894x(98)00107-3
BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50069065
PNG
((2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tet...)
Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O/c1-6-7(2)18-11-5-12-9(3-8(6)11)10(14(15,16)17)4-13(20)19-12/h3-7,18H,1-2H3,(H,19,20)/t6-,7+/m0/s1
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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)


Article DOI: 10.1016/s0960-894x(98)00107-3
BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50069065
PNG
((2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tet...)
Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O/c1-6-7(2)18-11-5-12-9(3-8(6)11)10(14(15,16)17)4-13(20)19-12/h3-7,18H,1-2H3,(H,19,20)/t6-,7+/m0/s1
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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)


Article DOI: 10.1016/s0960-894x(98)00107-3
BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50069065
PNG
((2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tet...)
Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O/c1-6-7(2)18-11-5-12-9(3-8(6)11)10(14(15,16)17)4-13(20)19-12/h3-7,18H,1-2H3,(H,19,20)/t6-,7+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against hAR androgen receptor expressed in COS cells


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


Article DOI: 10.1016/s0960-894x(98)00107-3
BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50069065
PNG
((2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tet...)
Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O/c1-6-7(2)18-11-5-12-9(3-8(6)11)10(14(15,16)17)4-13(20)19-12/h3-7,18H,1-2H3,(H,19,20)/t6-,7+/m0/s1
PDB

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Article
PubMed
n/an/a 1.90E+3n/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)


Article DOI: 10.1016/s0960-894x(98)00107-3
BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50069065
PNG
((2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tet...)
Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O/c1-6-7(2)18-11-5-12-9(3-8(6)11)10(14(15,16)17)4-13(20)19-12/h3-7,18H,1-2H3,(H,19,20)/t6-,7+/m0/s1
PDB

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.50E+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)


Article DOI: 10.1016/s0960-894x(98)00107-3
BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair