Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50040599'   

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))	BDBM50040599 (4-({(S)-2-[(R)-1-Carboxy-3-(1,3-dioxo-1,3-dihydro-...) Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C30H31N3O7/c1-17(2)13-25(26(34)31-16-18-7-9-19(10-8-18)29(37)38)32-24(30(39)40)11-12-33-27(35)22-14-20-5-3-4-6-21(20)15-23(22)28(33)36/h3-10,14-15,17,24-25,32H,11-13,16H2,1-2H3,(H,31,34)(H,37,38)(H,39,40)/t24-,25+/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	56	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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