BDBM50374924 CHEMBL406677

SMILES: CN1C(=O)N(C(=O)\C(=C/c2c[nH]c3ccccc23)C1=O)c1cccc2ccccc12

InChI Key: InChIKey=IBLPGSPXWXVJAM-UYRXBGFRSA-N

Data: 1 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 1 hit for monomerid = 50374924   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Integrin α4β7 (Homo sapiens (Human))	BDBM50374924 (CHEMBL406677) Show SMILES CN1C(=O)N(C(=O)\C(=C/c2c[nH]c3ccccc23)C1=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H17N3O3/c1-26-22(28)19(13-16-14-25-20-11-5-4-9-17(16)20)23(29)27(24(26)30)21-12-6-8-15-7-2-3-10-18(15)21/h2-14,25H,1H3/b19-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/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