BDBM345835 US10202365, Compound 12::US10774070, Compound 12

SMILES: CCOc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1

InChI Key: InChIKey=OQCQBGRMYZDPMH-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 = 345835   

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))	BDBM345835 (US10202365, Compound 12 | US10774070, Compound 12) Show SMILES CCOc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1 Show InChI InChI=1S/C24H25N7O2/c1-4-33-19-8-5-17(6-9-19)13-26-24(32)20-10-7-18(14-25-20)23-27-15(2)11-21(29-23)28-22-12-16(3)30-31-22/h5-12,14H,4,13H2,1-3H3,(H,26,32)(H2,27,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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 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
RET kinase mutant (V804L) (Homo sapiens (Human))	BDBM345835 (US10202365, Compound 12 | US10774070, Compound 12) Show SMILES CCOc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1 Show InChI InChI=1S/C24H25N7O2/c1-4-33-19-8-5-17(6-9-19)13-26-24(32)20-10-7-18(14-25-20)23-27-15(2)11-21(29-23)28-22-12-16(3)30-31-22/h5-12,14H,4,13H2,1-3H3,(H,26,32)(H2,27,28,29,30,31)	PDB 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))	BDBM345835 (US10202365, Compound 12 | US10774070, Compound 12) Show SMILES CCOc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1 Show InChI InChI=1S/C24H25N7O2/c1-4-33-19-8-5-17(6-9-19)13-26-24(32)20-10-7-18(14-25-20)23-27-15(2)11-21(29-23)28-22-12-16(3)30-31-22/h5-12,14H,4,13H2,1-3H3,(H,26,32)(H2,27,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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 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
RET kinase mutant (V804L) (Homo sapiens (Human))	BDBM345835 (US10202365, Compound 12 | US10774070, Compound 12) Show SMILES CCOc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1 Show InChI InChI=1S/C24H25N7O2/c1-4-33-19-8-5-17(6-9-19)13-26-24(32)20-10-7-18(14-25-20)23-27-15(2)11-21(29-23)28-22-12-16(3)30-31-22/h5-12,14H,4,13H2,1-3H3,(H,26,32)(H2,27,28,29,30,31)	PDB 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