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SMILES: Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cccc(F)c2)n[nH]1

InChI Key: InChIKey=RRAZGXMAEVCHOU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 345831   

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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345831 (US10202365, Compound 8 | US10774070, Compound 8) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cccc(F)c2)n[nH]1 Show InChI InChI=1S/C22H20FN7O/c1-13-8-19(27-20-9-14(2)29-30-20)28-21(26-13)16-6-7-18(24-12-16)22(31)25-11-15-4-3-5-17(23)10-15/h3-10,12H,11H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...				US Patent US10202365 (2019) BindingDB Entry DOI: 10.7270/Q2736T1G
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L] (Homo sapiens (Human))	BDBM345831 (US10202365, Compound 8 | US10774070, Compound 8) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cccc(F)c2)n[nH]1 Show InChI InChI=1S/C22H20FN7O/c1-13-8-19(27-20-9-14(2)29-30-20)28-21(26-13)16-6-7-18(24-12-16)22(31)25-11-15-4-3-5-17(23)10-15/h3-10,12H,11H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...				US Patent US10774070 (2020)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345831 (US10202365, Compound 8 | US10774070, Compound 8) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cccc(F)c2)n[nH]1 Show InChI InChI=1S/C22H20FN7O/c1-13-8-19(27-20-9-14(2)29-30-20)28-21(26-13)16-6-7-18(24-12-16)22(31)25-11-15-4-3-5-17(23)10-15/h3-10,12H,11H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...				US Patent US10774070 (2020)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L] (Homo sapiens (Human))	BDBM345831 (US10202365, Compound 8 | US10774070, Compound 8) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cccc(F)c2)n[nH]1 Show InChI InChI=1S/C22H20FN7O/c1-13-8-19(27-20-9-14(2)29-30-20)28-21(26-13)16-6-7-18(24-12-16)22(31)25-11-15-4-3-5-17(23)10-15/h3-10,12H,11H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...				US Patent US10202365 (2019) BindingDB Entry DOI: 10.7270/Q2736T1G
					More data for this Ligand-Target Pair