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 = 'BDBM50598840'   

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))	BDBM50598840 (CHEMBL5199806) Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(cccc3nc12)C#N |(3.87,-2.98,;4.16,-1.78,;5.64,-1.35,;6,.14,;4.89,1.21,;5.18,2.41,;3.41,.78,;2.52,1.63,;3.05,-.72,;1.54,-1.04,;.92,-2.45,;1.53,-3.52,;-.61,-2.29,;-1.64,-3.43,;-2.85,-3.18,;-1.26,-4.61,;-.93,-.78,;-2.27,-.01,;-2.27,1.53,;-3.6,2.3,;-3.6,3.84,;-2.27,4.61,;-.93,3.84,;-.93,2.3,;.4,1.53,;.4,-.01,;-4.94,1.53,;-6,.91,)| 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	5	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))	BDBM50598840 (CHEMBL5199806) Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(cccc3nc12)C#N |(3.87,-2.98,;4.16,-1.78,;5.64,-1.35,;6,.14,;4.89,1.21,;5.18,2.41,;3.41,.78,;2.52,1.63,;3.05,-.72,;1.54,-1.04,;.92,-2.45,;1.53,-3.52,;-.61,-2.29,;-1.64,-3.43,;-2.85,-3.18,;-1.26,-4.61,;-.93,-.78,;-2.27,-.01,;-2.27,1.53,;-3.6,2.3,;-3.6,3.84,;-2.27,4.61,;-.93,3.84,;-.93,2.3,;.4,1.53,;.4,-.01,;-4.94,1.53,;-6,.91,)| 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	34	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