BindingDB logo
myBDB logout

BDBM53536 3-(4-phenylpiperazino)sulfonylbenzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester::3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester::MLS000054197::SMR000062075::[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate::[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate::cid_2999387

SMILES: O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1)NCc1ccco1

InChI Key: InChIKey=LGAQKLZPUUURLS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 53536   
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
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM53536
PNG
(3-(4-phenylpiperazino)sulfonylbenzoic acid [2-(2-f...)
Show SMILES O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1)NCc1ccco1
Show InChI InChI=1S/C24H25N3O6S/c28-23(25-17-21-9-5-15-32-21)18-33-24(29)19-6-4-10-22(16-19)34(30,31)27-13-11-26(12-14-27)20-7-2-1-3-8-20/h1-10,15-16H,11-14,17-18H2,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.41E+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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM53536
PNG
(3-(4-phenylpiperazino)sulfonylbenzoic acid [2-(2-f...)
Show SMILES O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1)NCc1ccco1
Show InChI InChI=1S/C24H25N3O6S/c28-23(25-17-21-9-5-15-32-21)18-33-24(29)19-6-4-10-22(16-19)34(30,31)27-13-11-26(12-14-27)20-7-2-1-3-8-20/h1-10,15-16H,11-14,17-18H2,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.97E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2RJ4GWX
More data for this
Ligand-Target Pair