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SMILES: CCOc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1NC(C)=O

InChI Key: InChIKey=SOUHBZCFORSMCH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 461405   

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
Serine/threonine-protein kinase 4 (Homo sapiens (Human))	BDBM461405 (US10774068, Example 127 | US11427560, Example 127) Show SMILES CCOc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1NC(C)=O Show InChI InChI=1S/C20H17ClN4O2/c1-3-27-19-9-17-16(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-15-6-4-5-14(21)7-15/h4-9,11H,3H2,1-2H3,(H,23,25)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
THE SCRIPPS RESEARCH INSTITUTE; UNIVERSITÄT BREMEN US Patent					Assay Description MST1 and MST2 biochemical LanthaScreen Eu Kinase Binding Assay was based on the binding and displacement of kinase tracer to the kinase of interest. ...				US Patent US10774068 (2020) BindingDB Entry DOI: 10.7270/Q2S46W22
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM461405 (US10774068, Example 127 | US11427560, Example 127) Show SMILES CCOc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1NC(C)=O Show InChI InChI=1S/C20H17ClN4O2/c1-3-27-19-9-17-16(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-15-6-4-5-14(21)7-15/h4-9,11H,3H2,1-2H3,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MST1 and MST2 biochemical LanthaScreen Eu Kinase Binding Assay was based on the binding and displacement of kinase tracer to the kinase of interest. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P272CX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 4 (Homo sapiens (Human))	BDBM461405 (US10774068, Example 127 | US11427560, Example 127) Show SMILES CCOc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1NC(C)=O Show InChI InChI=1S/C20H17ClN4O2/c1-3-27-19-9-17-16(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-15-6-4-5-14(21)7-15/h4-9,11H,3H2,1-2H3,(H,23,25)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MST1 and MST2 biochemical LanthaScreen Eu Kinase Binding Assay was based on the binding and displacement of kinase tracer to the kinase of interest. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P272CX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM461405 (US10774068, Example 127 | US11427560, Example 127) Show SMILES CCOc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1NC(C)=O Show InChI InChI=1S/C20H17ClN4O2/c1-3-27-19-9-17-16(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-15-6-4-5-14(21)7-15/h4-9,11H,3H2,1-2H3,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
THE SCRIPPS RESEARCH INSTITUTE; UNIVERSITÄT BREMEN US Patent					Assay Description MST1 and MST2 biochemical LanthaScreen Eu Kinase Binding Assay was based on the binding and displacement of kinase tracer to the kinase of interest. ...				US Patent US10774068 (2020) BindingDB Entry DOI: 10.7270/Q2S46W22
					More data for this Ligand-Target Pair