Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50072568'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50072568 ((8S,9R,12S)-12-(1H-Indole-3-carbonyl)-9-isobutyl-1...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCCOc2ccc(C[C@H](NC1=O)C(=O)c1c[nH]c3ccccc13)cc2)C(=O)NO Show InChI InChI=1S/C30H37N3O5/c1-19(2)16-24-23(30(36)33-37)9-4-3-7-15-38-21-13-11-20(12-14-21)17-27(32-29(24)35)28(34)25-18-31-26-10-6-5-8-22(25)26/h5-6,8,10-14,18-19,23-24,27,31,37H,3-4,7,9,15-17H2,1-2H3,(H,32,35)(H,33,36)/t23-,24+,27-/m0/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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase 2 isolated from human HT-1080 fibrosarcoma cells induced with TNF				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair