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BDBM50212171 7-(4-(trifluoromethyl)phenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol::CHEMBL250506

SMILES: Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2ccc(cc2)C(F)(F)F)c1

InChI Key: InChIKey=JAWNBJUVLYLZIH-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50212171   
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
Estrogen-related receptor alpha


(Homo sapiens (Human))
BDBM50212171
PNG
(7-(4-(trifluoromethyl)phenyl)-6H-chromeno[4,3-b]qu...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C23H14F3NO3/c24-23(25,26)13-3-1-12(2-4-13)21-17-9-14(28)6-8-19(17)27-22-16-7-5-15(29)10-20(16)30-11-18(21)22/h1-10,28-29H,11H2
PDB
MMDB

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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 319n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERalpha


Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Estrogen-related receptor beta


(Homo sapiens (Human))
BDBM50212171
PNG
(7-(4-(trifluoromethyl)phenyl)-6H-chromeno[4,3-b]qu...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C23H14F3NO3/c24-23(25,26)13-3-1-12(2-4-13)21-17-9-14(28)6-8-19(17)27-22-16-7-5-15(29)10-20(16)30-11-18(21)22/h1-10,28-29H,11H2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.24E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta


Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair