BindingDB logo
myBDB logout

BDBM66167 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one::3-(4-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one::3-(p-tolyl)-2-thioxo-1H-benzofuro[3,2-d]pyrimidin-4-one::MLS000418892::SMR000236843::cid_7120056

SMILES: Cc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O

InChI Key: InChIKey=LCFRXYNGFSBFGV-UHFFFAOYSA-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 = 66167   
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
photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM66167
PNG
(3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro...)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C17H12N2O2S/c1-10-6-8-11(9-7-10)19-16(20)15-14(18-17(19)22)12-4-2-3-5-13(12)21-15/h2-9H,1H3,(H,18,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
nuclear receptor corepressor 2 isoform 2


(Homo sapiens (Human))
BDBM66167
PNG
(3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro...)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C17H12N2O2S/c1-10-6-8-11(9-7-10)19-16(20)15-14(18-17(19)22)12-4-2-3-5-13(12)21-15/h2-9H,1H3,(H,18,22)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.54E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28914BQ
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66167
PNG
(3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro...)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C17H12N2O2S/c1-10-6-8-11(9-7-10)19-16(20)15-14(18-17(19)22)12-4-2-3-5-13(12)21-15/h2-9H,1H3,(H,18,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66167
PNG
(3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro...)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C17H12N2O2S/c1-10-6-8-11(9-7-10)19-16(20)15-14(18-17(19)22)12-4-2-3-5-13(12)21-15/h2-9H,1H3,(H,18,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66167
PNG
(3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro...)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C17H12N2O2S/c1-10-6-8-11(9-7-10)19-16(20)15-14(18-17(19)22)12-4-2-3-5-13(12)21-15/h2-9H,1H3,(H,18,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair