BindingDB logo
myBDB logout

BDBM50292296 (E)-2,2,6,6-tetramethyl-4-(3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)piperidin-1-olate::CHEMBL390088

SMILES: CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=SEMZZFHBJWNNRZ-ZRDIBKRKSA-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 = 50292296   
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))
BDBM50292296
PNG
((E)-2,2,6,6-tetramethyl-4-(3-(5-(4-nitrophenyl)fur...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O |^1:10|
Show InChI InChI=1S/C22H26N3O5/c1-21(2)13-16(14-22(3,4)25(21)29)23-20(26)12-10-18-9-11-19(30-18)15-5-7-17(8-6-15)24(27)28/h5-12,16H,13-14H2,1-4H3,(H,23,26)/b12-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


J Med Chem 50: 2137-43 (2007)


Article DOI: 10.1021/jm061481l
BindingDB Entry DOI: 10.7270/Q2BG2NP4
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50292296
PNG
((E)-2,2,6,6-tetramethyl-4-(3-(5-(4-nitrophenyl)fur...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O |^1:10|
Show InChI InChI=1S/C22H26N3O5/c1-21(2)13-16(14-22(3,4)25(21)29)23-20(26)12-10-18-9-11-19(30-18)15-5-7-17(8-6-15)24(27)28/h5-12,16H,13-14H2,1-4H3,(H,23,26)/b12-10+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of HePTP


J Med Chem 50: 2137-43 (2007)


Article DOI: 10.1021/jm061481l
BindingDB Entry DOI: 10.7270/Q2BG2NP4
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50292296
PNG
((E)-2,2,6,6-tetramethyl-4-(3-(5-(4-nitrophenyl)fur...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O |^1:10|
Show InChI InChI=1S/C22H26N3O5/c1-21(2)13-16(14-22(3,4)25(21)29)23-20(26)12-10-18-9-11-19(30-18)15-5-7-17(8-6-15)24(27)28/h5-12,16H,13-14H2,1-4H3,(H,23,26)/b12-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 50: 2137-43 (2007)


Article DOI: 10.1021/jm061481l
BindingDB Entry DOI: 10.7270/Q2BG2NP4
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50292296
PNG
((E)-2,2,6,6-tetramethyl-4-(3-(5-(4-nitrophenyl)fur...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O |^1:10|
Show InChI InChI=1S/C22H26N3O5/c1-21(2)13-16(14-22(3,4)25(21)29)23-20(26)12-10-18-9-11-19(30-18)15-5-7-17(8-6-15)24(27)28/h5-12,16H,13-14H2,1-4H3,(H,23,26)/b12-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of CD45


J Med Chem 50: 2137-43 (2007)


Article DOI: 10.1021/jm061481l
BindingDB Entry DOI: 10.7270/Q2BG2NP4
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50292296
PNG
((E)-2,2,6,6-tetramethyl-4-(3-(5-(4-nitrophenyl)fur...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O |^1:10|
Show InChI InChI=1S/C22H26N3O5/c1-21(2)13-16(14-22(3,4)25(21)29)23-20(26)12-10-18-9-11-19(30-18)15-5-7-17(8-6-15)24(27)28/h5-12,16H,13-14H2,1-4H3,(H,23,26)/b12-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of VHR


J Med Chem 50: 2137-43 (2007)


Article DOI: 10.1021/jm061481l
BindingDB Entry DOI: 10.7270/Q2BG2NP4
More data for this
Ligand-Target Pair