Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase receptor Ret' and Ligand = 'BDBM345845'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM345845 (US10202365, Compound 22 | US10774070, Compound 22) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C25H21N11O/c1-15-7-21(32-22-8-16(2)34-35-22)33-24(31-15)19-4-5-20(27-13-19)25(37)29-11-17-3-6-23(28-10-17)36-14-18(9-26)12-30-36/h3-8,10,12-14H,11H2,1-2H3,(H,29,37)(H2,31,32,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt 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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345845 (US10202365, Compound 22 | US10774070, Compound 22) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C25H21N11O/c1-15-7-21(32-22-8-16(2)34-35-22)33-24(31-15)19-4-5-20(27-13-19)25(37)29-11-17-3-6-23(28-10-17)36-14-18(9-26)12-30-36/h3-8,10,12-14H,11H2,1-2H3,(H,29,37)(H2,31,32,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt 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