BDBM451735 6-(2-amino-5-(4-ethynyl-2- fluoro-5-nitrophenyl)pyridin- 3-yl)-3,4-dihydroisoquinolin- 1(2H)-one::US10710978, Compound I-45

SMILES: Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cc(c(cc1F)C#C)[N+]([O-])=O

InChI Key: InChIKey=OQBHWBCOYXYZGP-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 451735   

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))	BDBM451735 (6-(2-amino-5-(4-ethynyl-2- fluoro-5-nitrophenyl)py...) Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cc(c(cc1F)C#C)[N+]([O-])=O Show InChI InChI=1S/C22H15FN4O3/c1-2-12-9-19(23)17(10-20(12)27(29)30)15-8-18(21(24)26-11-15)13-3-4-16-14(7-13)5-6-25-22(16)28/h1,3-4,7-11H,5-6H2,(H2,24,26)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	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))	BDBM451735 (6-(2-amino-5-(4-ethynyl-2- fluoro-5-nitrophenyl)py...) Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cc(c(cc1F)C#C)[N+]([O-])=O Show InChI InChI=1S/C22H15FN4O3/c1-2-12-9-19(23)17(10-20(12)27(29)30)15-8-18(21(24)26-11-15)13-3-4-16-14(7-13)5-6-25-22(16)28/h1,3-4,7-11H,5-6H2,(H2,24,26)(H,25,28)	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))	BDBM451735 (6-(2-amino-5-(4-ethynyl-2- fluoro-5-nitrophenyl)py...) Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cc(c(cc1F)C#C)[N+]([O-])=O Show InChI InChI=1S/C22H15FN4O3/c1-2-12-9-19(23)17(10-20(12)27(29)30)15-8-18(21(24)26-11-15)13-3-4-16-14(7-13)5-6-25-22(16)28/h1,3-4,7-11H,5-6H2,(H2,24,26)(H,25,28)	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))	BDBM451735 (6-(2-amino-5-(4-ethynyl-2- fluoro-5-nitrophenyl)py...) Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cc(c(cc1F)C#C)[N+]([O-])=O Show InChI InChI=1S/C22H15FN4O3/c1-2-12-9-19(23)17(10-20(12)27(29)30)15-8-18(21(24)26-11-15)13-3-4-16-14(7-13)5-6-25-22(16)28/h1,3-4,7-11H,5-6H2,(H2,24,26)(H,25,28)	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