Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50001007'   

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))	BDBM50001007 ((Aranciamycin) 4-(4,5-Dihydroxy-3-methoxy-6-methyl...) Show SMILES COC1C(O)C(O)C(C)OC1O[C@H]1[C@H](OC)[C@](C)(O)C(=O)c2cc3C(=O)c4cccc(O)c4C(=O)c3c(O)c12 Show InChI InChI=1S/C27H28O12/c1-9-17(29)21(33)23(36-3)26(38-9)39-22-16-12(24(34)27(2,35)25(22)37-4)8-11-15(20(16)32)19(31)14-10(18(11)30)6-5-7-13(14)28/h5-9,17,21-23,25-26,28-29,32-33,35H,1-4H3/t9?,17?,21?,22-,23?,25+,26?,27-/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	370	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Inhibitory concentration against Clostridium histolyticum Collagenase				J Med Chem 35: 2768-71 (1992) BindingDB Entry DOI: 10.7270/Q2FN16SC
					More data for this Ligand-Target Pair