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BDBM50342566 (E)-4-chloro-3-(2-oxo-2-phenylethylidene)indolin-2-one::CHEMBL1770518

SMILES: Clc1cccc2NC(=O)\C(=C\C(=O)c3ccccc3)c12

InChI Key: InChIKey=OESOKCNFLBVONS-PKNBQFBNSA-N

Data: 1 KI  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 3 hits for monomerid = 50342566   
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
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342566
PNG
((E)-4-chloro-3-(2-oxo-2-phenylethylidene)indolin-2...)
Show SMILES Clc1cccc2NC(=O)\C(=C\C(=O)c3ccccc3)c12
Show InChI InChI=1S/C16H10ClNO2/c17-12-7-4-8-13-15(12)11(16(20)18-13)9-14(19)10-5-2-1-3-6-10/h1-9H,(H,18,20)/b11-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342566
PNG
((E)-4-chloro-3-(2-oxo-2-phenylethylidene)indolin-2...)
Show SMILES Clc1cccc2NC(=O)\C(=C\C(=O)c3ccccc3)c12
Show InChI InChI=1S/C16H10ClNO2/c17-12-7-4-8-13-15(12)11(16(20)18-13)9-14(19)10-5-2-1-3-6-10/h1-9H,(H,18,20)/b11-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using ZGBC as a substrate after 30 to 60 mins by fluorometric assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM50342566
PNG
((E)-4-chloro-3-(2-oxo-2-phenylethylidene)indolin-2...)
Show SMILES Clc1cccc2NC(=O)\C(=C\C(=O)c3ccccc3)c12
Show InChI InChI=1S/C16H10ClNO2/c17-12-7-4-8-13-15(12)11(16(20)18-13)9-14(19)10-5-2-1-3-6-10/h1-9H,(H,18,20)/b11-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair