Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM113592'   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM113592 (US8633196, 24 | US9365529, 24) Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO Show InChI InChI=1S/C28H37N5O7S2/c1-20(2)19-41(36,37)33-14-12-32(13-15-33)27(28(34)31-35)17-29-42(38,39)24-10-8-23(9-11-24)40-18-22-16-21(3)30-26-7-5-4-6-25(22)26/h4-11,16,20,27,29,35H,12-15,17-19H2,1-3H3,(H,31,34)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVLOPMENT US Patent					Assay Description The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...				US Patent US9365529 (2016) BindingDB Entry DOI: 10.7270/Q29W0DC8
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