null

SMILES: COc1cccc(OC)c1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2c(Cl)cccc2Cl)cc1

InChI Key: InChIKey=IRBBMKUIRCTMHW-QGZVFWFLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50104536   

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))	BDBM50104536 ((R)-3-(2,6-Dichloro-benzoylamino)-4-(2',6'-dimetho...) Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C25H23Cl2NO5/c1-32-20-7-4-8-21(33-2)23(20)16-11-9-15(10-12-16)13-17(14-22(29)30)28-25(31)24-18(26)5-3-6-19(24)27/h3-12,17H,13-14H2,1-2H3,(H,28,31)(H,29,30)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104536 ((R)-3-(2,6-Dichloro-benzoylamino)-4-(2',6'-dimetho...) Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C25H23Cl2NO5/c1-32-20-7-4-8-21(33-2)23(20)16-11-9-15(10-12-16)13-17(14-22(29)30)28-25(31)24-18(26)5-3-6-19(24)27/h3-12,17H,13-14H2,1-2H3,(H,28,31)(H,29,30)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair