Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5'-nucleotidase' and Ligand = 'BDBM222259'   

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
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM222259 ((Z)-4-(2-((E)-4-(2,4-dichlorophenyl)-1-morpholino-...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C20H20Cl2N4O4S/c21-15-3-1-14(18(22)13-15)2-8-19(27)20(26-9-11-30-12-10-26)25-24-16-4-6-17(7-5-16)31(23,28)29/h1-8,13,24H,9-12H2,(H2,23,28,29)/b8-2+,25-20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM222259 ((Z)-4-(2-((E)-4-(2,4-dichlorophenyl)-1-morpholino-...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C20H20Cl2N4O4S/c21-15-3-1-14(18(22)13-15)2-8-19(27)20(26-9-11-30-12-10-26)25-24-16-4-6-17(7-5-16)31(23,28)29/h1-8,13,24H,9-12H2,(H2,23,28,29)/b8-2+,25-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.32E+3	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair