Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM29018'   

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))	BDBM29018 ((1S,5S,7R)-3-N-hydroxy-7-N-[(4-phenylphenyl)methyl...) Show SMILES ONC(=O)N1C[C@H]2O[C@@H](C1)[C@@H](O2)C(=O)NCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C20H21N3O5/c24-19(18-16-11-23(20(25)22-26)12-17(27-16)28-18)21-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,26H,10-12H2,(H,21,24)(H,22,25)/t16-,17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.78E+5	n/a	n/a	n/a	n/a	7.0	25
University of Florence					Assay Description The inhibition potency (IC50) was measured by fluorescent enzymatic assays. The compounds were evaluated for their ability to inhibit the hydrolysis ...				Bioorg Med Chem 14: 7392-403 (2006) Article DOI: 10.1016/j.bmc.2006.07.028 BindingDB Entry DOI: 10.7270/Q2TD9VPX
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