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SMILES: COc1cc(ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1)C#C

InChI Key: InChIKey=MFVRLQJIVOAAFN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 451751   

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))	BDBM451751 (4-(6-amino-5-(1-oxo-1,2,3,4- tetrahydroisoquinolin...) Show SMILES COc1cc(ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1)C#C Show InChI InChI=1S/C23H19N3O2/c1-3-14-4-6-18(21(10-14)28-2)17-12-20(22(24)26-13-17)15-5-7-19-16(11-15)8-9-25-23(19)27/h1,4-7,10-13H,8-9H2,2H3,(H2,24,26)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC.; FONDAZIONE CENTRO SAN RAFFAELE US Patent					Assay Description Biochemical IC50s were measured at Invitrogen using Z-lyte technology. Briefly, for STK4, the 2×STK4 (MST1)/Ser/Thr 07 mixture was prepared in 50 mM ...				US Patent US10710978 (2020)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 26 (Homo sapiens (Human))	BDBM451751 (4-(6-amino-5-(1-oxo-1,2,3,4- tetrahydroisoquinolin...) Show SMILES COc1cc(ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1)C#C Show InChI InChI=1S/C23H19N3O2/c1-3-14-4-6-18(21(10-14)28-2)17-12-20(22(24)26-13-17)15-5-7-19-16(11-15)8-9-25-23(19)27/h1,4-7,10-13H,8-9H2,2H3,(H2,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC.; FONDAZIONE CENTRO SAN RAFFAELE US Patent					Assay Description Biochemical IC50s were measured at Invitrogen using Z-lyte technology. Briefly, for STK4, the 2×STK4 (MST1)/Ser/Thr 07 mixture was prepared in 50 mM ...				US Patent US10710978 (2020)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 24 (Homo sapiens (Human))	BDBM451751 (4-(6-amino-5-(1-oxo-1,2,3,4- tetrahydroisoquinolin...) Show SMILES COc1cc(ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1)C#C Show InChI InChI=1S/C23H19N3O2/c1-3-14-4-6-18(21(10-14)28-2)17-12-20(22(24)26-13-17)15-5-7-19-16(11-15)8-9-25-23(19)27/h1,4-7,10-13H,8-9H2,2H3,(H2,24,26)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC.; FONDAZIONE CENTRO SAN RAFFAELE US Patent					Assay Description Biochemical IC50s were measured at Invitrogen using Z-lyte technology. Briefly, for STK4, the 2×STK4 (MST1)/Ser/Thr 07 mixture was prepared in 50 mM ...				US Patent US10710978 (2020)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM451751 (4-(6-amino-5-(1-oxo-1,2,3,4- tetrahydroisoquinolin...) Show SMILES COc1cc(ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1)C#C Show InChI InChI=1S/C23H19N3O2/c1-3-14-4-6-18(21(10-14)28-2)17-12-20(22(24)26-13-17)15-5-7-19-16(11-15)8-9-25-23(19)27/h1,4-7,10-13H,8-9H2,2H3,(H2,24,26)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC.; FONDAZIONE CENTRO SAN RAFFAELE US Patent					Assay Description Biochemical IC50s were measured at Invitrogen using Z-lyte technology. Briefly, for STK4, the 2×STK4 (MST1)/Ser/Thr 07 mixture was prepared in 50 mM ...				US Patent US10710978 (2020)
					More data for this Ligand-Target Pair