Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 9367   

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))	BDBM461424 (US10774070, Compound Vandetanib | US10807986, Exam...) Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1 Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif...				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))	BDBM50363397 (CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif...				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))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif...				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))	BDBM345846 (US10202365, Compound 23 | US10774070, Compound 23) Show SMILES C[C@H](NC(=O)c1ncc(cc1C)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cccn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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))	BDBM345857 (US10202365, Compound 34 | US10774070, Compound 34) Show SMILES CC[C@@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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))	BDBM345856 (US10202365, Compound 33 | US10774070, Compound 33) Show SMILES C[C@@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 [V804L] (Homo sapiens (Human))	BDBM345853 (US10202365, Compound 30 | US10774070, Compound 30) Show SMILES C[C@H](NC(=O)c1ncc(cc1F)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L] (Homo sapiens (Human))	BDBM345834 (US10202365, Compound 11 | US10774070, Compound 11) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(Cl)cc2)n[nH]1 Show InChI InChI=1S/C22H20ClN7O/c1-13-9-19(27-20-10-14(2)29-30-20)28-21(26-13)16-5-8-18(24-12-16)22(31)25-11-15-3-6-17(23)7-4-15/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	<10	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345841 (US10202365, Compound 18 | US10774070, Compound 18) Show SMILES Cc1cnn(c1)-c1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1 Show InChI InChI=1S/C25H24N10O/c1-15-10-29-35(14-15)23-7-4-18(11-27-23)12-28-25(36)20-6-5-19(13-26-20)24-30-16(2)8-21(32-24)31-22-9-17(3)33-34-22/h4-11,13-14H,12H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 [V804L] (Homo sapiens (Human))	BDBM345841 (US10202365, Compound 18 | US10774070, Compound 18) Show SMILES Cc1cnn(c1)-c1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1 Show InChI InChI=1S/C25H24N10O/c1-15-10-29-35(14-15)23-7-4-18(11-27-23)12-28-25(36)20-6-5-19(13-26-20)24-30-16(2)8-21(32-24)31-22-9-17(3)33-34-22/h4-11,13-14H,12H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345842 (US10202365, Compound 19 | US10774070, Compound 19) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2cnc(C(=O)NCc3ccc(nc3)-n3cccn3)c(C)c2)n[nH]1 Show InChI InChI=1S/C25H24N10O/c1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35/h4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 [V804L] (Homo sapiens (Human))	BDBM345842 (US10202365, Compound 19 | US10774070, Compound 19) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2cnc(C(=O)NCc3ccc(nc3)-n3cccn3)c(C)c2)n[nH]1 Show InChI InChI=1S/C25H24N10O/c1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35/h4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345844 (US10202365, Compound 21 | US10774070, Compound 21) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cnc(cn2)-n2cc(F)cn2)n[nH]1 Show InChI InChI=1S/C23H20FN11O/c1-13-5-19(31-20-6-14(2)33-34-20)32-22(30-13)15-3-4-18(26-7-15)23(36)28-10-17-9-27-21(11-25-17)35-12-16(24)8-29-35/h3-9,11-12H,10H2,1-2H3,(H,28,36)(H2,30,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 [V804L] (Homo sapiens (Human))	BDBM345844 (US10202365, Compound 21 | US10774070, Compound 21) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2cnc(cn2)-n2cc(F)cn2)n[nH]1 Show InChI InChI=1S/C23H20FN11O/c1-13-5-19(31-20-6-14(2)33-34-20)32-22(30-13)15-3-4-18(26-7-15)23(36)28-10-17-9-27-21(11-25-17)35-12-16(24)8-29-35/h3-9,11-12H,10H2,1-2H3,(H,28,36)(H2,30,31,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345858 (US10202365, Compound 35 | US10774070, Compound 35) Show SMILES C[C@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1cnc(cn1)-n1cc(F)cn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 [V804L] (Homo sapiens (Human))	BDBM345846 (US10202365, Compound 23 | US10774070, Compound 23) Show SMILES C[C@H](NC(=O)c1ncc(cc1C)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cccn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345847 (US10202365, Compound 24 | US10774070, Compound 24) Show SMILES Cc1cc(C)n(n1)-c1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1 Show InChI InChI=1S/C26H26N10O/c1-15-10-22(31-23-11-16(2)33-34-23)32-25(30-15)20-6-7-21(27-14-20)26(37)29-13-19-5-8-24(28-12-19)36-18(4)9-17(3)35-36/h5-12,14H,13H2,1-4H3,(H,29,37)(H2,30,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 [V804L] (Homo sapiens (Human))	BDBM345847 (US10202365, Compound 24 | US10774070, Compound 24) Show SMILES Cc1cc(C)n(n1)-c1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1 Show InChI InChI=1S/C26H26N10O/c1-15-10-22(31-23-11-16(2)33-34-23)32-25(30-15)20-6-7-21(27-14-20)26(37)29-13-19-5-8-24(28-12-19)36-18(4)9-17(3)35-36/h5-12,14H,13H2,1-4H3,(H,29,37)(H2,30,31,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345848 (US10202365, Compound 25 | US10774070, Compound 25) Show SMILES C[C@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 [V804L] (Homo sapiens (Human))	BDBM345848 (US10202365, Compound 25 | US10774070, Compound 25) Show SMILES C[C@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345849 (US10202365, Compound 26 | US10774070, Compound 26) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2ccc(n2)C2CC2)n[nH]1 Show InChI InChI=1S/C27H26N10O/c1-16-11-23(32-24-12-17(2)34-35-24)33-26(31-16)20-6-7-22(28-15-20)27(38)30-14-18-3-8-25(29-13-18)37-10-9-21(36-37)19-4-5-19/h3,6-13,15,19H,4-5,14H2,1-2H3,(H,30,38)(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	<10	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 [V804L] (Homo sapiens (Human))	BDBM345849 (US10202365, Compound 26 | US10774070, Compound 26) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2ccc(n2)C2CC2)n[nH]1 Show InChI InChI=1S/C27H26N10O/c1-16-11-23(32-24-12-17(2)34-35-24)33-26(31-16)20-6-7-22(28-15-20)27(38)30-14-18-3-8-25(29-13-18)37-10-9-21(36-37)19-4-5-19/h3,6-13,15,19H,4-5,14H2,1-2H3,(H,30,38)(H2,31,32,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L] (Homo sapiens (Human))	BDBM345851 (US10202365, Compound 28 | US10774070, Compound 28) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(nc2)-n2cc(CCO)cn2)n[nH]1 Show InChI InChI=1S/C26H26N10O2/c1-16-9-22(32-23-10-17(2)34-35-23)33-25(31-16)20-4-5-21(27-14-20)26(38)29-12-18-3-6-24(28-11-18)36-15-19(7-8-37)13-30-36/h3-6,9-11,13-15,37H,7-8,12H2,1-2H3,(H,29,38)(H2,31,32,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345852 (US10202365, Compound 29 | US10774070, Compound 29) Show SMILES C[C@H](NC(=O)c1ncc(cc1C)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 [V804L] (Homo sapiens (Human))	BDBM345852 (US10202365, Compound 29 | US10774070, Compound 29) Show SMILES C[C@H](NC(=O)c1ncc(cc1C)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345853 (US10202365, Compound 30 | US10774070, Compound 30) Show SMILES C[C@H](NC(=O)c1ncc(cc1F)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccc(nc1)-n1cc(F)cn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 [V804L] (Homo sapiens (Human))	BDBM50363397 (CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	29.8	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif...				US Patent US10774070 (2020) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M] (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	32.4	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif...				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))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif...				US Patent US10774070 (2020) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M] (Homo sapiens (Human))	BDBM50363397 (CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	46.7	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif...				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))	BDBM345824 (US10202365, Compound 1 | US10774070, Compound 1) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccoc2)n[nH]1 Show InChI InChI=1S/C20H19N7O2/c1-12-7-17(24-18-8-13(2)26-27-18)25-19(23-12)15-3-4-16(21-10-15)20(28)22-9-14-5-6-29-11-14/h3-8,10-11H,9H2,1-2H3,(H,22,28)(H2,23,24,25,26,27)	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 [V804L] (Homo sapiens (Human))	BDBM345824 (US10202365, Compound 1 | US10774070, Compound 1) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccoc2)n[nH]1 Show InChI InChI=1S/C20H19N7O2/c1-12-7-17(24-18-8-13(2)26-27-18)25-19(23-12)15-3-4-16(21-10-15)20(28)22-9-14-5-6-29-11-14/h3-8,10-11H,9H2,1-2H3,(H,22,28)(H2,23,24,25,26,27)	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345825 (US10202365, Compound 2 | US10774070, Compound 2) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccccc2)n[nH]1 Show InChI InChI=1S/C22H21N7O/c1-14-10-19(26-20-11-15(2)28-29-20)27-21(25-14)17-8-9-18(23-13-17)22(30)24-12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)	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 [V804L] (Homo sapiens (Human))	BDBM345825 (US10202365, Compound 2 | US10774070, Compound 2) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccccc2)n[nH]1 Show InChI InChI=1S/C22H21N7O/c1-14-10-19(26-20-11-15(2)28-29-20)27-21(25-14)17-8-9-18(23-13-17)22(30)24-12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345827 (US10202365, Compound 4 | US10774070, Compound 4) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)N2Cc3ccccc3C2)n[nH]1 Show InChI InChI=1S/C23H21N7O/c1-14-9-20(26-21-10-15(2)28-29-21)27-22(25-14)16-7-8-19(24-11-16)23(31)30-12-17-5-3-4-6-18(17)13-30/h3-11H,12-13H2,1-2H3,(H2,25,26,27,28,29)	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 [V804L] (Homo sapiens (Human))	BDBM345827 (US10202365, Compound 4 | US10774070, Compound 4) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)N2Cc3ccccc3C2)n[nH]1 Show InChI InChI=1S/C23H21N7O/c1-14-9-20(26-21-10-15(2)28-29-21)27-22(25-14)16-7-8-19(24-11-16)23(31)30-12-17-5-3-4-6-18(17)13-30/h3-11H,12-13H2,1-2H3,(H2,25,26,27,28,29)	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345828 (US10202365, Compound 5 | US10774070, Compound 5) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(C)cc2)n[nH]1 Show InChI InChI=1S/C23H23N7O/c1-14-4-6-17(7-5-14)12-25-23(31)19-9-8-18(13-24-19)22-26-15(2)10-20(28-22)27-21-11-16(3)29-30-21/h4-11,13H,12H2,1-3H3,(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	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 [V804L] (Homo sapiens (Human))	BDBM345828 (US10202365, Compound 5 | US10774070, Compound 5) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(C)cc2)n[nH]1 Show InChI InChI=1S/C23H23N7O/c1-14-4-6-17(7-5-14)12-25-23(31)19-9-8-18(13-24-19)22-26-15(2)10-20(28-22)27-21-11-16(3)29-30-21/h4-11,13H,12H2,1-3H3,(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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L] (Homo sapiens (Human))	BDBM345829 (US10202365, Compound 6 | US10774070, Compound 6) Show SMILES C[C@@H](NC(=O)c1ccc(cn1)-c1nc(C)cc(Nc2cc(C)[nH]n2)n1)c1ccccc1 |r| Show InChI	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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345830 (US10202365, Compound 7 | US10774070, Compound 7) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(C)cn2)n[nH]1 Show InChI InChI=1S/C22H22N8O/c1-13-4-6-17(23-10-13)12-25-22(31)18-7-5-16(11-24-18)21-26-14(2)8-19(28-21)27-20-9-15(3)29-30-20/h4-11H,12H2,1-3H3,(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	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 [V804L] (Homo sapiens (Human))	BDBM345830 (US10202365, Compound 7 | US10774070, Compound 7) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(C)cn2)n[nH]1 Show InChI InChI=1S/C22H22N8O/c1-13-4-6-17(23-10-13)12-25-22(31)18-7-5-16(11-24-18)21-26-14(2)8-19(28-21)27-20-9-15(3)29-30-20/h4-11H,12H2,1-3H3,(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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345832 (US10202365, Compound 9 | US10774070, Compound 9) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(F)cc2)n[nH]1 Show InChI InChI=1S/C22H20FN7O/c1-13-9-19(27-20-10-14(2)29-30-20)28-21(26-13)16-5-8-18(24-12-16)22(31)25-11-15-3-6-17(23)7-4-15/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	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 [V804L] (Homo sapiens (Human))	BDBM345832 (US10202365, Compound 9 | US10774070, Compound 9) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(F)cc2)n[nH]1 Show InChI InChI=1S/C22H20FN7O/c1-13-9-19(27-20-10-14(2)29-30-20)28-21(26-13)16-5-8-18(24-12-16)22(31)25-11-15-3-6-17(23)7-4-15/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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345833 (US10202365, Compound 10 | US10774070, Compound 10) Show SMILES COc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1 Show InChI InChI=1S/C23H23N7O2/c1-14-10-20(27-21-11-15(2)29-30-21)28-22(26-14)17-6-9-19(24-13-17)23(31)25-12-16-4-7-18(32-3)8-5-16/h4-11,13H,12H2,1-3H3,(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	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 [V804L] (Homo sapiens (Human))	BDBM345833 (US10202365, Compound 10 | US10774070, Compound 10) Show SMILES COc1ccc(CNC(=O)c2ccc(cn2)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1 Show InChI InChI=1S/C23H23N7O2/c1-14-10-20(27-21-11-15(2)29-30-21)28-22(26-14)17-6-9-19(24-13-17)23(31)25-12-16-4-7-18(32-3)8-5-16/h4-11,13H,12H2,1-3H3,(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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345834 (US10202365, Compound 11 | US10774070, Compound 11) Show SMILES Cc1cc(Nc2cc(C)nc(n2)-c2ccc(nc2)C(=O)NCc2ccc(Cl)cc2)n[nH]1 Show InChI InChI=1S/C22H20ClN7O/c1-13-9-19(27-20-10-14(2)29-30-20)28-21(26-13)16-5-8-18(24-12-16)22(31)25-11-15-3-6-17(23)7-4-15/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	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))	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 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 [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 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) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM345836 (US10202365, Compound 13 | US10774070, Compound 13) Show SMILES CCOc1ccc(CNC(=O)c2ncc(cc2C)-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cc1 Show InChI InChI=1S/C25H27N7O2/c1-5-34-20-8-6-18(7-9-20)13-27-25(33)23-15(2)10-19(14-26-23)24-28-16(3)11-21(30-24)29-22-12-17(4)31-32-22/h6-12,14H,5,13H2,1-4H3,(H,27,33)(H2,28,29,30,31,32)	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

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