null

SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCSCC2)S(=O)(=O)c2ccccc2)C(O)=O)cc1

InChI Key: InChIKey=IDUDYLQZZVVIFO-DEOSSOPVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124267   

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))	BDBM50124267 (2-{[4-((S)-Benzenesulfonyl)-tetrahydro-thiopyran-4...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCSCC2)S(=O)(=O)c2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C28H29NO6S2/c1-35-25-10-6-5-9-23(25)21-13-11-20(12-14-21)19-24(26(30)31)29-27(32)28(15-17-36-18-16-28)37(33,34)22-7-3-2-4-8-22/h2-14,24H,15-19H2,1H3,(H,29,32)(H,30,31)/t24-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	128	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))	BDBM50124267 (2-{[4-((S)-Benzenesulfonyl)-tetrahydro-thiopyran-4...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCSCC2)S(=O)(=O)c2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C28H29NO6S2/c1-35-25-10-6-5-9-23(25)21-13-11-20(12-14-21)19-24(26(30)31)29-27(32)28(15-17-36-18-16-28)37(33,34)22-7-3-2-4-8-22/h2-14,24H,15-19H2,1H3,(H,29,32)(H,30,31)/t24-/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	4.10	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