null

SMILES: OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CCOCC1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=MXTOSAOISBOVCI-QHCPKHFHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124250   

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))	BDBM50124250 ((S)-2-[(4-Benzenesulfonyl-tetrahydro-pyran-4-carbo...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CCOCC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H26Cl2N2O7S/c29-21-7-4-8-22(30)24(21)25(33)31-19-11-9-18(10-12-19)17-23(26(34)35)32-27(36)28(13-15-39-16-14-28)40(37,38)20-5-2-1-3-6-20/h1-12,23H,13-17H2,(H,31,33)(H,32,36)(H,34,35)/t23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	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))	BDBM50124250 ((S)-2-[(4-Benzenesulfonyl-tetrahydro-pyran-4-carbo...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CCOCC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H26Cl2N2O7S/c29-21-7-4-8-22(30)24(21)25(33)31-19-11-9-18(10-12-19)17-23(26(34)35)32-27(36)28(13-15-39-16-14-28)40(37,38)20-5-2-1-3-6-20/h1-12,23H,13-17H2,(H,31,33)(H,32,36)(H,34,35)/t23-/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	0.220	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