null

SMILES: OC(=O)[C@H](Cc1ccc2oc(nc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl

InChI Key: InChIKey=XYRKHQUYEVMHKJ-KRWDZBQOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50144787   

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-7 (Homo sapiens (Human))	BDBM50144787 ((S)-2-(2,6-Dichloro-benzoylamino)-3-[2-(2,6-dichlo...) Show SMILES OC(=O)[C@H](Cc1ccc2oc(nc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H14Cl4N2O4/c24-12-3-1-4-13(25)19(12)21(30)28-17(23(31)32)10-11-7-8-18-16(9-11)29-22(33-18)20-14(26)5-2-6-15(20)27/h1-9,17H,10H2,(H,28,30)(H,31,32)/t17-/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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Mn2+ activated state of alpha4-beta7 integrin				Bioorg Med Chem Lett 14: 2331-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.098 BindingDB Entry DOI: 10.7270/Q2FN15PM
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50144787 ((S)-2-(2,6-Dichloro-benzoylamino)-3-[2-(2,6-dichlo...) Show SMILES OC(=O)[C@H](Cc1ccc2oc(nc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H14Cl4N2O4/c24-12-3-1-4-13(25)19(12)21(30)28-17(23(31)32)10-11-7-8-18-16(9-11)29-22(33-18)20-14(26)5-2-6-15(20)27/h1-9,17H,10H2,(H,28,30)(H,31,32)/t17-/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	52	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [Ca2+]/Mg2+ unactivated state of very late antigen 4 (VLA-4)				Bioorg Med Chem Lett 14: 2331-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.098 BindingDB Entry DOI: 10.7270/Q2FN15PM
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50144787 ((S)-2-(2,6-Dichloro-benzoylamino)-3-[2-(2,6-dichlo...) Show SMILES OC(=O)[C@H](Cc1ccc2oc(nc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H14Cl4N2O4/c24-12-3-1-4-13(25)19(12)21(30)28-17(23(31)32)10-11-7-8-18-16(9-11)29-22(33-18)20-14(26)5-2-6-15(20)27/h1-9,17H,10H2,(H,28,30)(H,31,32)/t17-/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	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Mn2+ activated state of very late antigen 4 (VLA-4)				Bioorg Med Chem Lett 14: 2331-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.098 BindingDB Entry DOI: 10.7270/Q2FN15PM
					More data for this Ligand-Target Pair