Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-7' and Ligand = 'BDBM16823'   

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-7 (Homo sapiens (Human))	BDBM16823 ((2S)-2-[(dimethylcarbamoyl)amino]-3-[4-(5-methoxy-...) Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)C)C(O)=O)cc1 |r| Show InChI InChI=1S/C18H22N4O5/c1-21(2)18(26)20-13(17(24)25)9-11-5-7-12(8-6-11)15-14(27-4)10-19-22(3)16(15)23/h5-8,10,13H,9H2,1-4H3,(H,20,26)(H,24,25)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	4
Johnson & Johnson Pharmaceutical					Assay Description M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...				J Med Chem 49: 3402-11 (2006) Article DOI: 10.1021/jm060031q BindingDB Entry DOI: 10.7270/Q2Z60M9V
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