BindingDB logo
myBDB logout

null

SMILES: CC(C)CCOC(=O)[C@H](Cc1ccccc1)NCc1cc(ccc1O)[N+]([O-])=O

InChI Key: InChIKey=GDGMJVBCSDZLFZ-IBGZPJMESA-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 = 50090117   
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))		BDBM50090117
PNG
((S)-2-(2-Hydroxy-5-nitro-benzylamino)-3-phenyl-pro...)
Show SMILES CC(C)CCOC(=O)[C@H](Cc1ccccc1)NCc1cc(ccc1O)[N+]([O-])=O
Show InChI InChI=1S/C21H26N2O5/c1-15(2)10-11-28-21(25)19(12-16-6-4-3-5-7-16)22-14-17-13-18(23(26)27)8-9-20(17)24/h3-9,13,15,19,22,24H,10-12,14H2,1-2H3/t19-/m0/s1
PDB

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Millennium Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of alpha-4 beta7/MAdCAM mediated cell adhesion was evaluated using B-cell lymphoma RPMI 8866 cells

Bioorg Med Chem Lett 10: 1497-9 (2000)


BindingDB Entry DOI: 10.7270/Q2DN4493
More data for this
Ligand-Target Pair