Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M]' and Ligand = 'BDBM296818'   

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 [658-1114,V804M] (Homo sapiens (Human))	BDBM296818 (US10112942, Example 553 | US10137124, Example 553 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C28H28FN9O2/c1-39-26-3-2-18(7-34-26)11-37-20-4-21(37)13-36(12-20)25-10-32-24(9-33-25)23-5-22(40-17-28(29)15-31-16-28)14-38-27(23)19(6-30)8-35-38/h2-3,5,7-10,14,20-21,31H,4,11-13,15-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE -TK assay tech...				US Patent US10172851 (2019) BindingDB Entry DOI: 10.7270/Q2GM89CV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M] (Homo sapiens (Human))	BDBM296818 (US10112942, Example 553 | US10137124, Example 553 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C28H28FN9O2/c1-39-26-3-2-18(7-34-26)11-37-20-4-21(37)13-36(12-20)25-10-32-24(9-33-25)23-5-22(40-17-28(29)15-31-16-28)14-38-27(23)19(6-30)8-35-38/h2-3,5,7-10,14,20-21,31H,4,11-13,15-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description RET: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE™-TK assa...				US Patent US10953005 (2021) BindingDB Entry DOI: 10.7270/Q2668H9T
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M] (Homo sapiens (Human))	BDBM296818 (US10112942, Example 553 | US10137124, Example 553 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C28H28FN9O2/c1-39-26-3-2-18(7-34-26)11-37-20-4-21(37)13-36(12-20)25-10-32-24(9-33-25)23-5-22(40-17-28(29)15-31-16-28)14-38-27(23)19(6-30)8-35-38/h2-3,5,7-10,14,20-21,31H,4,11-13,15-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn...				US Patent US10555944 (2020) BindingDB Entry DOI: 10.7270/Q279473N
					More data for this Ligand-Target Pair