Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50000005   

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
Snake venom metalloproteinase BaP1 (Bothrops asper)	BDBM50239115 (CHEMBL4082030) Show SMILES CC(C)c1ccc(OCC(=O)N\N=C2/C(=O)NC(=O)N=C2O)cc1 |c:19| Show InChI InChI=1S/C15H16N4O5/c1-8(2)9-3-5-10(6-4-9)24-7-11(20)18-19-12-13(21)16-15(23)17-14(12)22/h3-6,8H,7H2,1-2H3,(H,18,20)(H2,16,17,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
UNICAMP Curated by ChEMBL					Assay Description Inhibition of Bothrops asper venom metalloprotease BaP1 assessed as reduction in proteolytic activity using azocasein as substrate measured after 90 ...				Bioorg Med Chem Lett 27: 2018-2022 (2017) Article DOI: 10.1016/j.bmcl.2017.03.007 BindingDB Entry DOI: 10.7270/Q2X06957
					More data for this Ligand-Target Pair
Snake venom metalloproteinase BaP1 (Bothrops asper)	BDBM50239116 (CHEMBL4098534) Show SMILES Cc1ccc(OCC(=O)N\N=C2/C(=O)NC(=O)N=C2O)cc1 |c:17| Show InChI InChI=1S/C13H12N4O5/c1-7-2-4-8(5-3-7)22-6-9(18)16-17-10-11(19)14-13(21)15-12(10)20/h2-5H,6H2,1H3,(H,16,18)(H2,14,15,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UNICAMP Curated by ChEMBL					Assay Description Inhibition of Bothrops asper venom metalloprotease BaP1 assessed as reduction in proteolytic activity using azocasein as substrate measured after 90 ...				Bioorg Med Chem Lett 27: 2018-2022 (2017) Article DOI: 10.1016/j.bmcl.2017.03.007 BindingDB Entry DOI: 10.7270/Q2X06957
					More data for this Ligand-Target Pair
Snake venom metalloproteinase BaP1 (Bothrops asper)	BDBM50239115 (CHEMBL4082030) Show SMILES CC(C)c1ccc(OCC(=O)N\N=C2/C(=O)NC(=O)N=C2O)cc1 |c:19| Show InChI InChI=1S/C15H16N4O5/c1-8(2)9-3-5-10(6-4-9)24-7-11(20)18-19-12-13(21)16-15(23)17-14(12)22/h3-6,8H,7H2,1-2H3,(H,18,20)(H2,16,17,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a
UNICAMP Curated by ChEMBL					Assay Description Binding affinity to Bothrops asper venom metalloprotease BaP1 assessed as Stern-Volmer quenching constant by fluorescence spectroscopic method				Bioorg Med Chem Lett 27: 2018-2022 (2017) Article DOI: 10.1016/j.bmcl.2017.03.007 BindingDB Entry DOI: 10.7270/Q2X06957
					More data for this Ligand-Target Pair
Snake venom metalloproteinase BaP1 (Bothrops asper)	BDBM50239116 (CHEMBL4098534) Show SMILES Cc1ccc(OCC(=O)N\N=C2/C(=O)NC(=O)N=C2O)cc1 |c:17| Show InChI InChI=1S/C13H12N4O5/c1-7-2-4-8(5-3-7)22-6-9(18)16-17-10-11(19)14-13(21)15-12(10)20/h2-5H,6H2,1H3,(H,16,18)(H2,14,15,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a
UNICAMP Curated by ChEMBL					Assay Description Binding affinity to Bothrops asper venom metalloprotease BaP1 assessed as Stern-Volmer quenching constant by fluorescence spectroscopic method				Bioorg Med Chem Lett 27: 2018-2022 (2017) Article DOI: 10.1016/j.bmcl.2017.03.007 BindingDB Entry DOI: 10.7270/Q2X06957
					More data for this Ligand-Target Pair