Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50386895'   

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))	BDBM50386895 (CHEMBL2048506) Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay				Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT
					More data for this Ligand-Target Pair