BindingDB logo
myBDB logout

null

SMILES: BrC1=NO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2cnc3ccccc3c2)C1

InChI Key: InChIKey=FDWIPZHANLQVMF-RDJZCZTQSA-N

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 1 hit for monomerid = 50200156   
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


(Homo sapiens (Human))		BDBM50200156
PNG
((S)-quinolin-3-ylmethyl 2-((((S)-3-bromo-4,5-dihyd...)
Show SMILES BrC1=NO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2cnc3ccccc3c2)C1 |r,t:1|
Show InChI InChI=1S/C20H21BrN4O4/c21-18-9-15(29-24-18)11-23-19(26)17-6-3-7-25(17)20(27)28-12-13-8-14-4-1-2-5-16(14)22-10-13/h1-2,4-5,8,10,15,17H,3,6-7,9,11-12H2,(H,23,26)/t15-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
 1.10E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TG2 expressed in Escherichia coli

J Med Chem 49: 7493-501 (2006)


Article DOI: 10.1021/jm060839a
BindingDB Entry DOI: 10.7270/Q2280771
More data for this
Ligand-Target Pair