Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50441213'   

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))	BDBM50441213 (CHEMBL2431027) Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r| Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/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	3.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of human MMP-1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay				Eur J Med Chem 111: 193-201 (2016) Article DOI: 10.1016/j.ejmech.2016.01.053 BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair