null

SMILES: CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCCC(O)=O)on1

InChI Key: InChIKey=MTTJAKXIRMNNOV-DEOSSOPVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50104528   

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))	BDBM50104528 (4-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCCC(O)=O)on1 Show InChI InChI=1S/C28H34N4O5/c1-18(2)15-24(25-17-22(37-32-25)8-6-10-27(34)35)30-26(33)16-20-11-13-21(14-12-20)29-28(36)31-23-9-5-4-7-19(23)3/h4-5,7,9,11-14,17-18,24H,6,8,10,15-16H2,1-3H3,(H,30,33)(H,34,35)(H2,29,31,36)/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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Alpha4-beta1 integrin in Jurkat cells				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50104528 (4-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCCC(O)=O)on1 Show InChI InChI=1S/C28H34N4O5/c1-18(2)15-24(25-17-22(37-32-25)8-6-10-27(34)35)30-26(33)16-20-11-13-21(14-12-20)29-28(36)31-23-9-5-4-7-19(23)3/h4-5,7,9,11-14,17-18,24H,6,8,10,15-16H2,1-3H3,(H,30,33)(H,34,35)(H2,29,31,36)/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	500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA				Bioorg Med Chem Lett 11: 2593-6 (2001) BindingDB Entry DOI: 10.7270/Q2H41SQZ
					More data for this Ligand-Target Pair