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SMILES: O=C1NC(=O)\C(=C\c2cc3ccccc3[nH]2)C(=O)N1c1ccccc1

InChI Key: InChIKey=KRXMZJGTLCMPNC-PTNGSMBKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50374932   
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))		BDBM50374932
PNG
(CHEMBL271050)
Show SMILES O=C1NC(=O)\C(=C\c2cc3ccccc3[nH]2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H13N3O3/c23-17-15(11-13-10-12-6-4-5-9-16(12)20-13)18(24)22(19(25)21-17)14-7-2-1-3-8-14/h1-11,20H,(H,21,23,25)/b15-11-
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.00E+4n/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