Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50035475'   

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))	BDBM50035475 (CHEMBL3355723) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(N)=O |r| Show InChI InChI=1S/C30H40FN5O6/c1-19(2)16-22(18-26(37)36-42)29(40)35-25(17-20-8-4-3-5-9-20)30(41)34-24(27(32)38)10-6-7-15-33-28(39)21-11-13-23(31)14-12-21/h3-5,8-9,11-14,19,22,24-25,42H,6-7,10,15-18H2,1-2H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t22-,24+,25+/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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Medical Center Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate				Bioorg Med Chem 23: 192-202 (2014) Article DOI: 10.1016/j.bmc.2014.11.013 BindingDB Entry DOI: 10.7270/Q26Q1ZVW
					More data for this Ligand-Target Pair