new BindingDB logo
myBDB logout

BDBM50219577 5-[3-({1-[(2-aminobenzyl)sulfonyl]piperidin-4-yl}amino)-phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid::CHEMBL230860

SMILES: Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br

InChI Key: InChIKey=FGSXDTAUWKYQDX-UHFFFAOYSA-N

Data: 2 KI

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 = 50219577   
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
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50219577
PNG
(5-[3-({1-[(2-aminobenzyl)sulfonyl]piperidin-4-yl}a...)
Show SMILES Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C25H26BrN3O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)15-5-3-6-18(12-15)28-17-8-10-29(11-9-17)38(34,35)14-16-4-1-2-7-19(16)27/h1-7,12,17,28H,8-11,13-14,27H2,(H,30,31)(H,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TCPTP


J Med Chem 50: 4681-98 (2007)


Article DOI: 10.1021/jm0702478
BindingDB Entry DOI: 10.7270/Q2TX3F37
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50219577
PNG
(5-[3-({1-[(2-aminobenzyl)sulfonyl]piperidin-4-yl}a...)
Show SMILES Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C25H26BrN3O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)15-5-3-6-18(12-15)28-17-8-10-29(11-9-17)38(34,35)14-16-4-1-2-7-19(16)27/h1-7,12,17,28H,8-11,13-14,27H2,(H,30,31)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Med Chem 50: 4681-98 (2007)


Article DOI: 10.1021/jm0702478
BindingDB Entry DOI: 10.7270/Q2TX3F37
More data for this
Ligand-Target Pair
3D
3D Structure (docked)