Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50418824'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50418824 (CHEMBL1738748) Show SMILES O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1 |r,wU:1.0,wD:1.10,THB:0:1:4.5:7.8,9:1:4.5:7.8,(1.3,.14,;.25,-.49,;1.76,-2.89,;-.88,-3.53,;.22,-2.89,;.22,-1.61,;-.88,-.99,;-1.96,-1.61,;-1.96,-2.89,;-1.09,.29,;-2.43,1.05,;-3.77,1.82,;-5.1,1.04,;-6.44,1.8,;-6.45,3.34,;-7.78,4.11,;-7.79,5.65,;-9.12,6.42,;-9.13,7.96,;-7.8,8.73,;-6.46,7.96,;-6.46,6.42,;-7.8,10.27,;-8.86,10.89,;-6.46,11.04,;-6.46,12.58,;-5.13,13.35,;-5.12,14.89,;-3.79,15.66,;-2.46,14.89,;-2.46,13.35,;-3.79,12.58,;-5.12,4.12,;-3.78,3.36,)| Show InChI InChI=1S/C28H27N3O3/c32-27(30-19-22-10-15-29-16-11-22)23-3-7-26(8-4-23)34-25-5-1-21(2-6-25)9-14-28(33)20-31-17-12-24(28)13-18-31/h1-8,10-11,15-16,24,33H,12-13,17-20H2,(H,30,32)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50418824 (CHEMBL1738748) Show SMILES O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1 |r,wU:1.0,wD:1.10,THB:0:1:4.5:7.8,9:1:4.5:7.8,(1.3,.14,;.25,-.49,;1.76,-2.89,;-.88,-3.53,;.22,-2.89,;.22,-1.61,;-.88,-.99,;-1.96,-1.61,;-1.96,-2.89,;-1.09,.29,;-2.43,1.05,;-3.77,1.82,;-5.1,1.04,;-6.44,1.8,;-6.45,3.34,;-7.78,4.11,;-7.79,5.65,;-9.12,6.42,;-9.13,7.96,;-7.8,8.73,;-6.46,7.96,;-6.46,6.42,;-7.8,10.27,;-8.86,10.89,;-6.46,11.04,;-6.46,12.58,;-5.13,13.35,;-5.12,14.89,;-3.79,15.66,;-2.46,14.89,;-2.46,13.35,;-3.79,12.58,;-5.12,4.12,;-3.78,3.36,)| Show InChI InChI=1S/C28H27N3O3/c32-27(30-19-22-10-15-29-16-11-22)23-3-7-26(8-4-23)34-25-5-1-21(2-6-25)9-14-28(33)20-31-17-12-24(28)13-18-31/h1-8,10-11,15-16,24,33H,12-13,17-20H2,(H,30,32)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala-Dap(Dnp)-NH2 substrate				Bioorg Med Chem Lett 21: 4215-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.075 BindingDB Entry DOI: 10.7270/Q2WH2R89
					More data for this Ligand-Target Pair				3D Structure (crystal)