Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50028941'   

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))	BDBM50028941 (CHEMBL3359658) Show SMILES CC(C)N(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO Show InChI InChI=1S/C24H30N6O4S/c1-17(2)29(3)19-6-4-18(5-7-19)22-16-30(28-26-22)20-8-10-21(11-9-20)35(33,34)24(23(31)27-32)12-14-25-15-13-24/h4-11,16-17,25,32H,12-15H2,1-3H3,(H,27,31)	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50028941 (CHEMBL3359658) Show SMILES CC(C)N(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO Show InChI InChI=1S/C24H30N6O4S/c1-17(2)29(3)19-6-4-18(5-7-19)22-16-30(28-26-22)20-8-10-21(11-9-20)35(33,34)24(23(31)27-32)12-14-25-15-13-24/h4-11,16-17,25,32H,12-15H2,1-3H3,(H,27,31)	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	n/a	n/a	n/a	n/a	n/a	n/a
Universidad CEU San Pablo Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin)				J Med Chem 57: 10205-19 (2014) Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC
					More data for this Ligand-Target Pair