Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50101500'   

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))	BDBM50101500 ((R)-3-(((S)-3-cyclohexyl-1-(4-morpholinobutylamino...) Show SMILES Cc1ccc(CCC[C@H](CC(O)=O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1 Show InChI InChI=1S/C31H49N3O5/c1-24-12-14-25(15-13-24)10-7-11-27(23-29(35)36)30(37)33-28(22-26-8-3-2-4-9-26)31(38)32-16-5-6-17-34-18-20-39-21-19-34/h12-15,26-28H,2-11,16-23H2,1H3,(H,32,38)(H,33,37)(H,35,36)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the Gelatinase-A enzyme was determined from purified NSO cells.				Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101500 ((R)-3-(((S)-3-cyclohexyl-1-(4-morpholinobutylamino...) Show SMILES Cc1ccc(CCC[C@H](CC(O)=O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1 Show InChI InChI=1S/C31H49N3O5/c1-24-12-14-25(15-13-24)10-7-11-27(23-29(35)36)30(37)33-28(22-26-8-3-2-4-9-26)31(38)32-16-5-6-17-34-18-20-39-21-19-34/h12-15,26-28H,2-11,16-23H2,1H3,(H,32,38)(H,33,37)(H,35,36)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair