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BDBM50212170 7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol::CHEMBL250301

SMILES: Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3C#C)c1

InChI Key: InChIKey=NFDYBNVVFHAKIV-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50212170   
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 beta


(Homo sapiens (Human))
BDBM50212170
PNG
(7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol | C...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3C#C)c1
Show InChI InChI=1S/C18H11NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h1,3-8,20-21H,9H2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 624n/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
Estrogen-related receptor alpha


(Homo sapiens (Human))
BDBM50212170
PNG
(7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol | C...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3C#C)c1
Show InChI InChI=1S/C18H11NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h1,3-8,20-21H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 52n/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