null

SMILES: CCN(CC)S(=O)(=O)C1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1OC)C(O)=O

InChI Key: InChIKey=LWMXBHHAGNVCLL-QFIPXVFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124249   

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-7 (Homo sapiens (Human))	BDBM50124249 (2-{[1-((S)-Diethyl-sulfamoyl)-cyclopentanecarbonyl...) Show SMILES CCN(CC)S(=O)(=O)C1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1OC)C(O)=O Show InChI InChI=1S/C26H34N2O6S/c1-4-28(5-2)35(32,33)26(16-8-9-17-26)25(31)27-22(24(29)30)18-19-12-14-20(15-13-19)21-10-6-7-11-23(21)34-3/h6-7,10-15,22H,4-5,8-9,16-18H2,1-3H3,(H,27,31)(H,29,30)/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50124249 (2-{[1-((S)-Diethyl-sulfamoyl)-cyclopentanecarbonyl...) Show SMILES CCN(CC)S(=O)(=O)C1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1OC)C(O)=O Show InChI InChI=1S/C26H34N2O6S/c1-4-28(5-2)35(32,33)26(16-8-9-17-26)25(31)27-22(24(29)30)18-19-12-14-20(15-13-19)21-10-6-7-11-23(21)34-3/h6-7,10-15,22H,4-5,8-9,16-18H2,1-3H3,(H,27,31)(H,29,30)/t22-/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	0.970	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