null

SMILES: Cc1nccn1-c1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1

InChI Key: InChIKey=DPLDYOSZVXSHEI-IBGZPJMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50373000   

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))	BDBM50373000 (CHEMBL266525) Show SMILES Cc1nccn1-c1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C25H21Cl2N5O4/c1-14-28-10-11-32(14)20-13-29-31(2)24(34)21(20)16-8-6-15(7-9-16)12-19(25(35)36)30-23(33)22-17(26)4-3-5-18(22)27/h3-11,13,19H,12H2,1-2H3,(H,30,33)(H,35,36)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	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))	BDBM50373000 (CHEMBL266525) Show SMILES Cc1nccn1-c1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C25H21Cl2N5O4/c1-14-28-10-11-32(14)20-13-29-31(2)24(34)21(20)16-8-6-15(7-9-16)12-19(25(35)36)30-23(33)22-17(26)4-3-5-18(22)27/h3-11,13,19H,12H2,1-2H3,(H,30,33)(H,35,36)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	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