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BDBM50367063 CHEMBL4174199

SMILES: Cc1cc(cc2c1[nH]c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=ZJIJGQSUYGWVGU-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50367063   
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
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50367063
PNG
(CHEMBL4174199)
Show SMILES Cc1cc(cc2c1[nH]c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO2/c1-8-6-9(15(26,16(18,19)20)17(21,22)23)7-12-10-4-2-3-5-11(10)14(25)24-13(8)12/h2-7,26H,1H3,(H,24,25)
PDB
MMDB

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human GAL4N-fused LXRalpha LBD expressed in HEK293 cells assessed as reduction in T0901317-induced transactivation activity af...


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))
BDBM50367063
PNG
(CHEMBL4174199)
Show SMILES Cc1cc(cc2c1[nH]c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO2/c1-8-6-9(15(26,16(18,19)20)17(21,22)23)7-12-10-4-2-3-5-11(10)14(25)24-13(8)12/h2-7,26H,1H3,(H,24,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human RORbeta1 expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50367063
PNG
(CHEMBL4174199)
Show SMILES Cc1cc(cc2c1[nH]c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO2/c1-8-6-9(15(26,16(18,19)20)17(21,22)23)7-12-10-4-2-3-5-11(10)14(25)24-13(8)12/h2-7,26H,1H3,(H,24,25)
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n/an/a 150n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity measured after 24 hrs


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50367063
PNG
(CHEMBL4174199)
Show SMILES Cc1cc(cc2c1[nH]c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO2/c1-8-6-9(15(26,16(18,19)20)17(21,22)23)7-12-10-4-2-3-5-11(10)14(25)24-13(8)12/h2-7,26H,1H3,(H,24,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human CMX-GRalpha expressed in HEK293 cells assessed as reduction in dexamethasone-induced transactivation activity after 24 h...


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50367063
PNG
(CHEMBL4174199)
Show SMILES Cc1cc(cc2c1[nH]c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO2/c1-8-6-9(15(26,16(18,19)20)17(21,22)23)7-12-10-4-2-3-5-11(10)14(25)24-13(8)12/h2-7,26H,1H3,(H,24,25)
PDB

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antibodypedia
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PC sid
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human RORgamma1 expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50367063
PNG
(CHEMBL4174199)
Show SMILES Cc1cc(cc2c1[nH]c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO2/c1-8-6-9(15(26,16(18,19)20)17(21,22)23)7-12-10-4-2-3-5-11(10)14(25)24-13(8)12/h2-7,26H,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human GAL4N-fused LXRbeta LBD expressed in HEK293 cells assessed as reduction in T0901317-induced transactivation activity aft...


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50367063
PNG
(CHEMBL4174199)
Show SMILES Cc1cc(cc2c1[nH]c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO2/c1-8-6-9(15(26,16(18,19)20)17(21,22)23)7-12-10-4-2-3-5-11(10)14(25)24-13(8)12/h2-7,26H,1H3,(H,24,25)
PDB
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NCI pathway
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UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human CMX-AR expressed in HEK293 cells assessed as reduction in dihydrotestosterone-induced transactivation activity after 24 ...


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50367063
PNG
(CHEMBL4174199)
Show SMILES Cc1cc(cc2c1[nH]c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO2/c1-8-6-9(15(26,16(18,19)20)17(21,22)23)7-12-10-4-2-3-5-11(10)14(25)24-13(8)12/h2-7,26H,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]progesterone from recombinant human GST-tagged PGR LBD (678 to 933 residues) expressed in baculovirus-infected insect cel...


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair