Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50320445'   

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))	BDBM50320445 (4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C33H47N5O6S/c1-25-5-4-6-30(26(25)2)37-19-21-38(22-20-37)31(39)27-11-15-36(16-12-27)28-7-9-29(10-8-28)45(42,43)33(32(40)34-41)13-17-35(18-14-33)23-24-44-3/h4-10,27,41H,11-24H2,1-3H3,(H,34,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Research& Development Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem Lett 20: 3561-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4
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