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SMILES: Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(-c4ccnn4C)c3nc12

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50598835   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50598835 (CHEMBL5169345) Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(-c4ccnn4C)c3nc12 |(2.67,-4.15,;2.96,-2.95,;4.44,-2.52,;4.8,-1.03,;3.69,.04,;3.98,1.24,;2.21,-.39,;1.32,.45,;1.85,-1.89,;.34,-2.21,;-.28,-3.62,;.33,-4.69,;-1.81,-3.46,;-2.84,-4.61,;-4.05,-4.35,;-2.46,-5.78,;-2.13,-1.95,;-3.47,-1.18,;-3.47,.36,;-4.8,1.13,;-4.8,2.67,;-3.47,3.44,;-2.13,2.67,;-.8,3.44,;.59,2.8,;1.62,3.94,;.85,5.27,;-.66,4.96,;-1.58,5.78,;-2.13,1.13,;-.8,.36,;-.8,-1.18,)| 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	120	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))	BDBM50598835 (CHEMBL5169345) Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(-c4ccnn4C)c3nc12 |(2.67,-4.15,;2.96,-2.95,;4.44,-2.52,;4.8,-1.03,;3.69,.04,;3.98,1.24,;2.21,-.39,;1.32,.45,;1.85,-1.89,;.34,-2.21,;-.28,-3.62,;.33,-4.69,;-1.81,-3.46,;-2.84,-4.61,;-4.05,-4.35,;-2.46,-5.78,;-2.13,-1.95,;-3.47,-1.18,;-3.47,.36,;-4.8,1.13,;-4.8,2.67,;-3.47,3.44,;-2.13,2.67,;-.8,3.44,;.59,2.8,;1.62,3.94,;.85,5.27,;-.66,4.96,;-1.58,5.78,;-2.13,1.13,;-.8,.36,;-.8,-1.18,)| 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