null

SMILES: COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)C2(CCCNC2)S(C)(=O)=O)C(O)=O)cc1

InChI Key: InChIKey=VBHVOJJDISNENC-VEXWJQHLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124279   

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))	BDBM50124279 (3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[3-((S)-metha...) Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)C2(CCCNC2)S(C)(=O)=O)C(O)=O)cc1 Show InChI InChI=1S/C24H30N2O7S/c1-32-19-6-4-7-20(33-2)21(19)17-10-8-16(9-11-17)14-18(22(27)28)26-23(29)24(34(3,30)31)12-5-13-25-15-24/h4,6-11,18,25H,5,12-15H2,1-3H3,(H,26,29)(H,27,28)/t18-,24?/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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards VLA-4 (alpha4 beta-1) receptor in human Jurkat cells using [125I]VCAM-Ig as radioligand				Bioorg Med Chem Lett 13: 885-90 (2003) BindingDB Entry DOI: 10.7270/Q2X34WVH
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50124279 (3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[3-((S)-metha...) Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)C2(CCCNC2)S(C)(=O)=O)C(O)=O)cc1 Show InChI InChI=1S/C24H30N2O7S/c1-32-19-6-4-7-20(33-2)21(19)17-10-8-16(9-11-17)14-18(22(27)28)26-23(29)24(34(3,30)31)12-5-13-25-15-24/h4,6-11,18,25H,5,12-15H2,1-3H3,(H,26,29)(H,27,28)/t18-,24?/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards VLA-4 (alpha4 beta7) receptor in human RPMI-8866 B-cell line using [125I]MAdCAM-Ig as radioligand				Bioorg Med Chem Lett 13: 885-90 (2003) BindingDB Entry DOI: 10.7270/Q2X34WVH
					More data for this Ligand-Target Pair