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SMILES: Oc1c(C(c2ccco2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12

InChI Key: InChIKey=DPCBACPQYAAEEZ-UHFFFAOYSA-N

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 = 50055703   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50055703
PNG
(3-[2-furyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-...)
Show SMILES Oc1c(C(c2ccco2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C23H14O7/c24-20-12-6-1-3-8-14(12)29-22(26)18(20)17(16-10-5-11-28-16)19-21(25)13-7-2-4-9-15(13)30-23(19)27/h1-11,17,24-25H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 3'-processing of DNA by HIV-1 integrase


J Med Chem 40: 242-9 (1997)


Article DOI: 10.1021/jm960450v
BindingDB Entry DOI: 10.7270/Q2DN444V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50055703
PNG
(3-[2-furyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-...)
Show SMILES Oc1c(C(c2ccco2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C23H14O7/c24-20-12-6-1-3-8-14(12)29-22(26)18(20)17(16-10-5-11-28-16)19-21(25)13-7-2-4-9-15(13)30-23(19)27/h1-11,17,24-25H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Integration of DNA by HIV -1 integrase


J Med Chem 40: 242-9 (1997)


Article DOI: 10.1021/jm960450v
BindingDB Entry DOI: 10.7270/Q2DN444V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50055703
PNG
(3-[2-furyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-...)
Show SMILES Oc1c(C(c2ccco2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C23H14O7/c24-20-12-6-1-3-8-14(12)29-22(26)18(20)17(16-10-5-11-28-16)19-21(25)13-7-2-4-9-15(13)30-23(19)27/h1-11,17,24-25H
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 7.59E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Human immunodeficiency virus 1 integrase


Citation and Details

Article DOI: 10.1007/s00044-010-9520-1
BindingDB Entry DOI: 10.7270/Q2PN98HT
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50055703
PNG
(3-[2-furyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-...)
Show SMILES Oc1c(C(c2ccco2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C23H14O7/c24-20-12-6-1-3-8-14(12)29-22(26)18(20)17(16-10-5-11-28-16)19-21(25)13-7-2-4-9-15(13)30-23(19)27/h1-11,17,24-25H
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 in presence of BSA


J Med Chem 50: 6316-25 (2007)


Article DOI: 10.1021/jm070472p
BindingDB Entry DOI: 10.7270/Q2DV1JM1
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50055703
PNG
(3-[2-furyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-...)
Show SMILES Oc1c(C(c2ccco2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C23H14O7/c24-20-12-6-1-3-8-14(12)29-22(26)18(20)17(16-10-5-11-28-16)19-21(25)13-7-2-4-9-15(13)30-23(19)27/h1-11,17,24-25H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 in presence of BSA


J Med Chem 50: 6316-25 (2007)


Article DOI: 10.1021/jm070472p
BindingDB Entry DOI: 10.7270/Q2DV1JM1
More data for this
Ligand-Target Pair