null

SMILES: CC(C)c1nc(C)c(s1)C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O

InChI Key: InChIKey=BVWQVEZQIWSUFK-SFHVURJKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50117072   

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))	BDBM50117072 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-[(2...) Show SMILES CC(C)c1nc(C)c(s1)C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C24H23Cl2N3O4S/c1-12(2)23-27-13(3)20(34-23)22(31)29-18(24(32)33)11-14-7-9-15(10-8-14)28-21(30)19-16(25)5-4-6-17(19)26/h4-10,12,18H,11H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	69	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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50117072 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-[(2...) Show SMILES CC(C)c1nc(C)c(s1)C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C24H23Cl2N3O4S/c1-12(2)23-27-13(3)20(34-23)22(31)29-18(24(32)33)11-14-7-9-15(10-8-14)28-21(30)19-16(25)5-4-6-17(19)26/h4-10,12,18H,11H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.560	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