BDBM50372984 CHEMBL272513

SMILES: Cn1ncc(c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O)-n1cc(Br)cn1

InChI Key: InChIKey=GIBVKJAUAVSEML-SFHVURJKSA-N

Data: 2 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 2 hits for monomerid = 50372984   

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 alpha-4/beta-1 (Homo sapiens (Human))	BDBM50372984 (CHEMBL272513) Show SMILES Cn1ncc(c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O)-n1cc(Br)cn1 Show InChI InChI=1S/C24H18BrCl2N5O4/c1-31-23(34)20(19(11-28-31)32-12-15(25)10-29-32)14-7-5-13(6-8-14)9-18(24(35)36)30-22(33)21-16(26)3-2-4-17(21)27/h2-8,10-12,18H,9H2,1H3,(H,30,33)(H,35,36)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1				Bioorg Med Chem Lett 18: 1331-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.022 BindingDB Entry DOI: 10.7270/Q2TD9Z6W
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50372984 (CHEMBL272513) Show SMILES Cn1ncc(c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O)-n1cc(Br)cn1 Show InChI InChI=1S/C24H18BrCl2N5O4/c1-31-23(34)20(19(11-28-31)32-12-15(25)10-29-32)14-7-5-13(6-8-14)9-18(24(35)36)30-22(33)21-16(26)3-2-4-17(21)27/h2-8,10-12,18H,9H2,1H3,(H,30,33)(H,35,36)/t18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human integrin alpha-4-beta-7-mediated K562 cell adhesion to immobilized MAdCAM1				Bioorg Med Chem Lett 18: 1331-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.022 BindingDB Entry DOI: 10.7270/Q2TD9Z6W
					More data for this Ligand-Target Pair