null

SMILES: OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1c(F)cccc1C(F)(F)F

InChI Key: InChIKey=XNQLPNVBNWPOSH-SFHVURJKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50117066   

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))	BDBM50117066 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(2-...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1c(F)cccc1C(F)(F)F Show InChI InChI=1S/C24H16Cl2F4N2O4/c25-15-4-2-5-16(26)20(15)22(34)31-13-9-7-12(8-10-13)11-18(23(35)36)32-21(33)19-14(24(28,29)30)3-1-6-17(19)27/h1-10,18H,11H2,(H,31,34)(H,32,33)(H,35,36)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibitory binding concentration against VCAM/VLA-4 in ELISA.				Bioorg Med Chem Lett 12: 2479-82 (2002) BindingDB Entry DOI: 10.7270/Q2V989C5
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50117066 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(2-...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1c(F)cccc1C(F)(F)F Show InChI InChI=1S/C24H16Cl2F4N2O4/c25-15-4-2-5-16(26)20(15)22(34)31-13-9-7-12(8-10-13)11-18(23(35)36)32-21(33)19-14(24(28,29)30)3-1-6-17(19)27/h1-10,18H,11H2,(H,31,34)(H,32,33)(H,35,36)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibitory binding concentration against VCAM/VLA-4 in Ramos.				Bioorg Med Chem Lett 12: 2479-82 (2002) BindingDB Entry DOI: 10.7270/Q2V989C5
					More data for this Ligand-Target Pair