Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50128322   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50128322 ((S)-2-[((S)-1-Benzenesulfonyl-pyrrolidine-2-carbon...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H24Cl2N4O6S/c27-19-14-29-15-20(28)23(19)25(34)30-17-10-8-16(9-11-17)13-21(26(35)36)31-24(33)22-7-4-12-32(22)39(37,38)18-5-2-1-3-6-18/h1-3,5-6,8-11,14-15,21-22H,4,7,12-13H2,(H,30,34)(H,31,33)(H,35,36)/t21-,22-/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	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of [Ca2+]				Bioorg Med Chem Lett 13: 1891-5 (2003) BindingDB Entry DOI: 10.7270/Q2JW8G62
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50128322 ((S)-2-[((S)-1-Benzenesulfonyl-pyrrolidine-2-carbon...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H24Cl2N4O6S/c27-19-14-29-15-20(28)23(19)25(34)30-17-10-8-16(9-11-17)13-21(26(35)36)31-24(33)22-7-4-12-32(22)39(37,38)18-5-2-1-3-6-18/h1-3,5-6,8-11,14-15,21-22H,4,7,12-13H2,(H,30,34)(H,31,33)(H,35,36)/t21-,22-/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	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of [Ca2+]				Bioorg Med Chem Lett 13: 1891-5 (2003) BindingDB Entry DOI: 10.7270/Q2JW8G62
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50128322 ((S)-2-[((S)-1-Benzenesulfonyl-pyrrolidine-2-carbon...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H24Cl2N4O6S/c27-19-14-29-15-20(28)23(19)25(34)30-17-10-8-16(9-11-17)13-21(26(35)36)31-24(33)22-7-4-12-32(22)39(37,38)18-5-2-1-3-6-18/h1-3,5-6,8-11,14-15,21-22H,4,7,12-13H2,(H,30,34)(H,31,33)(H,35,36)/t21-,22-/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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of VLA-4 binding in Jurkat cells in the presence of Mg2+				Bioorg Med Chem Lett 13: 1891-5 (2003) BindingDB Entry DOI: 10.7270/Q2JW8G62
					More data for this Ligand-Target Pair