BindingDB logo
myBDB logout

null

SMILES: O=C(\C=C\c1ccccc1)/C=C1/C(=O)NC(=O)N(C1=O)c1ccccc1

InChI Key: InChIKey=XABJQLXLWCEAOV-VBEVGYOXSA-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 = 50374936   
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
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50374936
PNG
(CHEMBL402795)
Show SMILES O=C(\C=C\c1ccccc1)/C=C1/C(=O)NC(=O)N(C1=O)c1ccccc1
Show InChI InChI=1S/C20H14N2O4/c23-16(12-11-14-7-3-1-4-8-14)13-17-18(24)21-20(26)22(19(17)25)15-9-5-2-6-10-15/h1-13H,(H,21,24,26)/b12-11+,17-13-
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay

Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair