Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM30348'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM30348 (BOC-piperidinyl glycine derivative, 22b) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H28N2O6S2/c1-22(2,3)30-21(27)24-13-11-16(12-14-24)19(20(25)26)23-32(28,29)18-10-9-17(31-18)15-7-5-4-6-8-15/h4-10,16,19,23H,11-14H2,1-3H3,(H,25,26)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
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