BDBM50124106 (Z)-2-[(2-Chloro-pyridine-3-carbonyl)-amino]-3-[4-(2,6-dichloro-benzyloxy)-phenyl]-acrylic acid::CHEMBL170110

SMILES: OC(=O)C(\NC(=O)c1cccnc1Cl)=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1

InChI Key: InChIKey=CDSKYCWTQPDDMJ-ODLFYWEKSA-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 = 50124106   

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
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50124106 ((Z)-2-[(2-Chloro-pyridine-3-carbonyl)-amino]-3-[4-...) Show SMILES OC(=O)C(\NC(=O)c1cccnc1Cl)=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C22H15Cl3N2O4/c23-17-4-1-5-18(24)16(17)12-31-14-8-6-13(7-9-14)11-19(22(29)30)27-21(28)15-3-2-10-26-20(15)25/h1-11H,12H2,(H,27,28)(H,29,30)/b19-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of VLA-4 to VCAM-1 binding				Bioorg Med Chem Lett 13: 805-8 (2003) BindingDB Entry DOI: 10.7270/Q25M670J
					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50124106 ((Z)-2-[(2-Chloro-pyridine-3-carbonyl)-amino]-3-[4-...) Show SMILES OC(=O)C(\NC(=O)c1cccnc1Cl)=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C22H15Cl3N2O4/c23-17-4-1-5-18(24)16(17)12-31-14-8-6-13(7-9-14)11-19(22(29)30)27-21(28)15-3-2-10-26-20(15)25/h1-11H,12H2,(H,27,28)(H,29,30)/b19-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of VLA-4 to VCAM-1 binding				Bioorg Med Chem Lett 13: 805-8 (2003) BindingDB Entry DOI: 10.7270/Q25M670J
					More data for this Ligand-Target Pair