BindingDB logo
myBDB logout

BDBM61880 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid::5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid::5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid::MLS000948181::SMR000620448::cid_7574182

SMILES: Cc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(O)=O

InChI Key: InChIKey=REQRYHBGVXYGHI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 61880   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM61880
PNG
(5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-b...)
Show SMILES Cc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(O)=O
Show InChI InChI=1S/C18H17NO5S/c1-10-4-5-11(2)16(8-10)25(22,23)19-13-6-7-15-14(9-13)17(18(20)21)12(3)24-15/h4-9,19H,1-3H3,(H,20,21)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 1.82E+4n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens)
BDBM61880
PNG
(5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-b...)
Show SMILES Cc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(O)=O
Show InChI InChI=1S/C18H17NO5S/c1-10-4-5-11(2)16(8-10)25(22,23)19-13-6-7-15-14(9-13)17(18(20)21)12(3)24-15/h4-9,19H,1-3H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 3.21E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM61880
PNG
(5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-b...)
Show SMILES Cc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(O)=O
Show InChI InChI=1S/C18H17NO5S/c1-10-4-5-11(2)16(8-10)25(22,23)19-13-6-7-15-14(9-13)17(18(20)21)12(3)24-15/h4-9,19H,1-3H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 9.33E+4n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair