Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50040606'   

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))	BDBM50040606 ((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...) Show SMILES CC(C)C[C@@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-18(2)15-26(27(34)31-19(3)20-9-5-4-6-10-20)32-25(30(37)38)13-14-33-28(35)23-16-21-11-7-8-12-22(21)17-24(23)29(33)36/h4-12,16-19,25-26,32H,13-15H2,1-3H3,(H,31,34)(H,37,38)/t19?,25-,26-/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	74	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Incorporated Research Institute Curated by ChEMBL					Assay Description Activity against human collagenase (MMP-1).				J Med Chem 37: 674-88 (1994) BindingDB Entry DOI: 10.7270/Q2RV0MRC
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