Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-7' and Ligand = 'BDBM16821'   

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))	BDBM16821 ((2S)-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydropyr...) Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C(C)C)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H28N4O5/c1-16(2)29(19-8-6-5-7-9-19)25(33)27-20(24(31)32)14-17-10-12-18(13-11-17)22-21(34-4)15-26-28(3)23(22)30/h5-13,15-16,20H,14H2,1-4H3,(H,27,33)(H,31,32)/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	92	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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