Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50063139'   

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))	BDBM50063139 ((R)-2-[4-(4-Bromo-benzoylamino)-benzenesulfonylami...) Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C24H20BrN3O5S/c25-17-7-5-15(6-8-17)23(29)27-18-9-11-19(12-10-18)34(32,33)28-22(24(30)31)13-16-14-26-21-4-2-1-3-20(16)21/h1-12,14,22,26,28H,13H2,(H,27,29)(H,30,31)/t22-/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa(Dnp)-Ala-Arg-NH2 as substrate measured up to 120 mins by fluorescence assay				J Med Chem 56: 4912-20 (2013) Article DOI: 10.1021/jm400156p BindingDB Entry DOI: 10.7270/Q2959MHQ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50063139 ((R)-2-[4-(4-Bromo-benzoylamino)-benzenesulfonylami...) Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C24H20BrN3O5S/c25-17-7-5-15(6-8-17)23(29)27-18-9-11-19(12-10-18)34(32,33)28-22(24(30)31)13-16-14-26-21-4-2-1-3-20(16)21/h1-12,14,22,26,28H,13H2,(H,27,29)(H,30,31)/t22-/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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human gelatinase A (matrix metalloproteinase-2 MMP2)				J Med Chem 41: 640-9 (1998) Article DOI: 10.1021/jm9707582 BindingDB Entry DOI: 10.7270/Q2HD7TS9
					More data for this Ligand-Target Pair