Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50069617'   

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))	BDBM50069617 ((2R,3S)-N*4*-((S)-1-Carbamoyl-2-phenyl-ethyl)-2-cy...) Show SMILES CC(C)C[C@H]([C@H](CSCC#N)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C20H28N4O4S/c1-13(2)10-15(16(20(27)24-28)12-29-9-8-21)19(26)23-17(18(22)25)11-14-6-4-3-5-7-14/h3-7,13,15-17,28H,9-12H2,1-2H3,(H2,22,25)(H,23,26)(H,24,27)/t15-,16+,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity of the compound towards human recombinant fibroblast collagenase				Bioorg Med Chem Lett 8: 29-34 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q3W
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