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BDBM40632 (3R,4S,5S)-2-(6,8-dimethyl-1-pyrrolo[2,3-g]quinolinyl)oxane-3,4,5-triol;hydrochloride::(3R,4S,5S)-2-(6,8-dimethylpyrrolo[2,3-g]quinolin-1-yl)oxane-3,4,5-triol;hydrochloride::(3R,4S,5S)-2-(6,8-dimethylpyrrolo[2,3-g]quinolin-1-yl)tetrahydropyran-3,4,5-triol;hydrochloride::MLS000047960::SMR000033958::Structure contains non-supported carbohydrate derivative!::cid_6602841

SMILES: Cc1cc(C)c2cc3n(ccc3cc2n1)C1OC[C@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=XGGWXDRQNGFDSY-XNHLSEOASA-N

Data: 5 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 5 hits for monomerid = 40632   
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
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM40632
PNG
((3R,4S,5S)-2-(6,8-dimethyl-1-pyrrolo[2,3-g]quinoli...)
Show SMILES Cc1cc(C)c2cc3n(ccc3cc2n1)C1OC[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H20N2O4/c1-9-5-10(2)19-13-6-11-3-4-20(14(11)7-12(9)13)18-17(23)16(22)15(21)8-24-18/h3-7,15-18,21-23H,8H2,1-2H3/t15-,16-,17+,18?/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.25E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40632
PNG
((3R,4S,5S)-2-(6,8-dimethyl-1-pyrrolo[2,3-g]quinoli...)
Show SMILES Cc1cc(C)c2cc3n(ccc3cc2n1)C1OC[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H20N2O4/c1-9-5-10(2)19-13-6-11-3-4-20(14(11)7-12(9)13)18-17(23)16(22)15(21)8-24-18/h3-7,15-18,21-23H,8H2,1-2H3/t15-,16-,17+,18?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 23n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM40632
PNG
((3R,4S,5S)-2-(6,8-dimethyl-1-pyrrolo[2,3-g]quinoli...)
Show SMILES Cc1cc(C)c2cc3n(ccc3cc2n1)C1OC[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H20N2O4/c1-9-5-10(2)19-13-6-11-3-4-20(14(11)7-12(9)13)18-17(23)16(22)15(21)8-24-18/h3-7,15-18,21-23H,8H2,1-2H3/t15-,16-,17+,18?/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2V40ST1
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM40632
PNG
((3R,4S,5S)-2-(6,8-dimethyl-1-pyrrolo[2,3-g]quinoli...)
Show SMILES Cc1cc(C)c2cc3n(ccc3cc2n1)C1OC[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H20N2O4/c1-9-5-10(2)19-13-6-11-3-4-20(14(11)7-12(9)13)18-17(23)16(22)15(21)8-24-18/h3-7,15-18,21-23H,8H2,1-2H3/t15-,16-,17+,18?/m0/s1
PDB
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n/an/a 5.76E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM40632
PNG
((3R,4S,5S)-2-(6,8-dimethyl-1-pyrrolo[2,3-g]quinoli...)
Show SMILES Cc1cc(C)c2cc3n(ccc3cc2n1)C1OC[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H20N2O4/c1-9-5-10(2)19-13-6-11-3-4-20(14(11)7-12(9)13)18-17(23)16(22)15(21)8-24-18/h3-7,15-18,21-23H,8H2,1-2H3/t15-,16-,17+,18?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.98E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair