Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50246792'   

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))	BDBM50246792 (CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1 |r| Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant pro-MMP2 by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50246792 (CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1 |r| Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/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	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant pro-MMP2 by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair