Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nucleoside diphosphate kinase B' and Ligand = 'BDBM50240744'   

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
Nucleoside diphosphate kinase B (Homo sapiens (Human))	BDBM50240744 (CHEMBL4079211) Show SMILES Fc1cc2c(cc1NCCCN1CCOCC1)nc1\C(CCn1c2=O)=C\c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C32H33FN4O3/c33-28-20-27-29(21-30(28)34-12-4-13-36-15-17-39-18-16-36)35-31-25(11-14-37(31)32(27)38)19-23-7-9-26(10-8-23)40-22-24-5-2-1-3-6-24/h1-3,5-10,19-21,34H,4,11-18,22H2/b25-19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to N-terminal NT-647-NHS labeled NM23-H2 (unknown origin) after 30 mins by MST analysis				J Med Chem 60: 6924-6941 (2017) Article DOI: 10.1021/acs.jmedchem.7b00421 BindingDB Entry DOI: 10.7270/Q2Q242C3
					More data for this Ligand-Target Pair
Nucleoside diphosphate kinase B (Homo sapiens (Human))	BDBM50240744 (CHEMBL4079211) Show SMILES Fc1cc2c(cc1NCCCN1CCOCC1)nc1\C(CCn1c2=O)=C\c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C32H33FN4O3/c33-28-20-27-29(21-30(28)34-12-4-13-36-15-17-39-18-16-36)35-31-25(11-14-37(31)32(27)38)19-23-7-9-26(10-8-23)40-22-24-5-2-1-3-6-24/h1-3,5-10,19-21,34H,4,11-18,22H2/b25-19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to NM23-H2 (unknown origin) by SPR analysis				J Med Chem 60: 6924-6941 (2017) Article DOI: 10.1021/acs.jmedchem.7b00421 BindingDB Entry DOI: 10.7270/Q2Q242C3
					More data for this Ligand-Target Pair