Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase' and Ligand = 'BDBM50598830'   

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
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50598830 (CHEMBL5186220) Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(Br)c3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-1.07,4.45,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50598830 (CHEMBL5186220) Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(Br)c3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-1.07,4.45,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ
					More data for this Ligand-Target Pair