Compile Data Set for Download or QSAR

Found 1229 hits Enz. Inhib. hit(s) with all data for entry = 8936   

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] (Homo sapiens (Human))	BDBM296817 (US10112942, Example 552 | US10137124, Example 552 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OC[C@H]3CNCCO3)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C29H31N9O3/c1-39-28-3-2-19(9-34-28)14-37-21-6-22(37)16-36(15-21)27-13-32-26(12-33-27)25-7-23(41-18-24-11-31-4-5-40-24)17-38-29(25)20(8-30)10-35-38/h2-3,7,9-10,12-13,17,21-22,24,31H,4-6,11,14-16,18H2,1H3/t21?,22?,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (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	2	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296816 (US10112942, Example 551 | US10137124, Example 551 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OC[C@@H]3CNCCO3)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C29H31N9O3/c1-39-28-3-2-19(9-34-28)14-37-21-6-22(37)16-36(15-21)27-13-32-26(12-33-27)25-7-23(41-18-24-11-31-4-5-40-24)17-38-29(25)20(8-30)10-35-38/h2-3,7,9-10,12-13,17,21-22,24,31H,4-6,11,14-16,18H2,1H3/t21?,22?,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296809 (US10112942, Example 544 | US10137124, Example 544 ...) Show SMILES CCOc1cc(-c2cnc(cn2)N2CC3CC(C2)N3Cc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N Show InChI InChI=1S/C26H25FN8O2/c1-3-37-20-6-21(25-17(7-28)9-32-35(25)15-20)23-10-30-24(11-29-23)33-13-18-5-19(14-33)34(18)12-16-4-22(27)26(36-2)31-8-16/h4,6,8-11,15,18-19H,3,5,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296821 (US10112942, Example 556 | US10137124, Example 556 ...) Show SMILES COc1cc(-c2cnc(cn2)N2CC3CC(C2)N3Cc2ccc(OC)nc2)c2c(Cl)cnn2c1 Show InChI InChI=1S/C24H24ClN7O2/c1-33-18-6-19(24-20(25)8-29-32(24)14-18)21-9-27-22(10-26-21)30-12-16-5-17(13-30)31(16)11-15-3-4-23(34-2)28-7-15/h3-4,6-10,14,16-17H,5,11-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296696 (US10112942, Example 431 | US10137124, Example 431 ...) Show SMILES COCCOc1cc(-c2ccc(nc2)N2CC3CC(C2)N3Cc2ccc(OC)nc2)c2c(cnn2c1)C#N Show InChI InChI=1S/C28H29N7O3/c1-36-7-8-38-24-10-25(28-21(11-29)14-32-35(28)18-24)20-4-5-26(30-13-20)33-16-22-9-23(17-33)34(22)15-19-3-6-27(37-2)31-12-19/h3-6,10,12-14,18,22-23H,7-9,15-17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296812 (6-ethoxy-4-(5-(6-(3- fluoro-4- methoxybenzyl)-3,6-...) Show SMILES CCOc1cc(-c2cnc(cn2)N2CC3CC(C2)N3Cc2ccc(OC)c(F)c2)c2c(cnn2c1)C#N Show InChI InChI=1S/C27H26FN7O2/c1-3-37-21-8-22(27-18(9-29)10-32-35(27)16-21)24-11-31-26(12-30-24)33-14-19-7-20(15-33)34(19)13-17-4-5-25(36-2)23(28)6-17/h4-6,8,10-12,16,19-20H,3,7,13-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296735 (US10112942, Example 470 | US10137124, Example 470 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCn3ccnc3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C30H29N9O2/c1-40-29-5-2-21(13-34-29)16-38-24-10-25(38)18-37(17-24)28-4-3-22(14-33-28)27-11-26(41-9-8-36-7-6-32-20-36)19-39-30(27)23(12-31)15-35-39/h2-7,11,13-15,19-20,24-25H,8-10,16-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296726 (US10112942, Example 461 | US10137124, Example 461 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCC3CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C30H32N8O2/c1-39-29-5-2-21(13-34-29)16-37-24-8-25(37)18-36(17-24)28-4-3-22(14-33-28)27-9-26(40-7-6-20-11-32-12-20)19-38-30(27)23(10-31)15-35-38/h2-5,9,13-15,19-20,24-25,32H,6-8,11-12,16-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296708 (US10112942, Example 443 | US10137124, Example 443 ...) Show SMILES COCCN1CCC(COc2cc(-c3ccc(nc3)N3CC4CC(C3)N4Cc3ccc(OC)nc3)c3c(cnn3c2)C#N)CC1 Show InChI InChI=1S/C34H40N8O3/c1-43-12-11-39-9-7-24(8-10-39)23-45-30-14-31(34-27(15-35)18-38-42(34)22-30)26-4-5-32(36-17-26)40-20-28-13-29(21-40)41(28)19-25-3-6-33(44-2)37-16-25/h3-6,14,16-18,22,24,28-29H,7-13,19-21,23H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296808 (US10112942, Example 543 | US10112942, Example 546 ...) Show SMILES CCOc1cc(-c2cnc(cn2)N2CC3CC(C2)N3Cc2ccc(OC)nc2)c2c(cnn2c1)C#N Show InChI InChI=1S/C26H26N8O2/c1-3-36-21-7-22(26-18(8-27)10-31-34(26)16-21)23-11-29-24(12-28-23)32-14-19-6-20(15-32)33(19)13-17-4-5-25(35-2)30-9-17/h4-5,7,9-12,16,19-20H,3,6,13-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M] (Homo sapiens (Human))	BDBM296817 (US10112942, Example 552 | US10137124, Example 552 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OC[C@H]3CNCCO3)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C29H31N9O3/c1-39-28-3-2-19(9-34-28)14-37-21-6-22(37)16-36(15-21)27-13-32-26(12-33-27)25-7-23(41-18-24-11-31-4-5-40-24)17-38-29(25)20(8-30)10-35-38/h2-3,7,9-10,12-13,17,21-22,24,31H,4-6,11,14-16,18H2,1H3/t21?,22?,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	7	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296745 (US10112942, Example 480 | US10137124, Example 480 ...) Show SMILES C[C@H](O)COc1cc(-c2ccc(nc2)N2CC3CC(C2)N3Cc2ccc(OC(F)F)nc2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C28H27F2N7O3/c1-17(38)16-39-23-7-24(27-20(8-31)11-34-37(27)15-23)19-3-4-25(32-10-19)35-13-21-6-22(14-35)36(21)12-18-2-5-26(33-9-18)40-28(29)30/h2-5,7,9-11,15,17,21-22,28,38H,6,12-14,16H2,1H3/t17-,21?,22?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296709 (US10112942, Example 444 | US10137124, Example 444 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCC3CCN(C)CC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C33H38N8O2/c1-38-10-7-23(8-11-38)9-12-43-29-14-30(33-26(15-34)18-37-41(33)22-29)25-4-5-31(35-17-25)39-20-27-13-28(21-39)40(27)19-24-3-6-32(42-2)36-16-24/h3-6,14,16-18,22-23,27-28H,7-13,19-21H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296710 (US10112942, Example 445 | US10137124, Example 445 ...) Show SMILES COCCN1CCC(CCOc2cc(-c3ccc(nc3)N3CC4CC(C3)N4Cc3ccc(OC)nc3)c3c(cnn3c2)C#N)CC1 Show InChI InChI=1S/C35H42N8O3/c1-44-14-12-40-10-7-25(8-11-40)9-13-46-31-16-32(35-28(17-36)20-39-43(35)24-31)27-4-5-33(37-19-27)41-22-29-15-30(23-41)42(29)21-26-3-6-34(45-2)38-18-26/h3-6,16,18-20,24-25,29-30H,7-15,21-23H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.20	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296727 (US10112942, Example 462 | US10137124, Example 462 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCC3CN(C)C3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C31H34N8O2/c1-36-15-22(16-36)7-8-41-27-10-28(31-24(11-32)14-35-39(31)20-27)23-4-5-29(33-13-23)37-18-25-9-26(19-37)38(25)17-21-3-6-30(40-2)34-12-21/h3-6,10,12-14,20,22,25-26H,7-9,15-19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296747 (US10112942, Example 482 | US10137124, Example 482 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CO)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C28H29N7O4/c1-38-27-5-2-18(9-31-27)12-34-21-6-22(34)14-33(13-21)26-4-3-19(10-30-26)25-7-24(39-17-23(37)16-36)15-35-28(25)20(8-29)11-32-35/h2-5,7,9-11,15,21-23,36-37H,6,12-14,16-17H2,1H3/t21?,22?,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.10	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296718 (US10112942, Example 453 | US10137124, Example 453 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(C)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C30H32N8O2/c1-30(17-32-18-30)19-40-25-8-26(29-22(9-31)12-35-38(29)16-25)21-4-5-27(33-11-21)36-14-23-7-24(15-36)37(23)13-20-3-6-28(39-2)34-10-20/h3-6,8,10-12,16,23-24,32H,7,13-15,17-19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.20	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296699 (US10112942, Example 434 | US10137124, Example 434 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@@H]3CN(C)CCO3)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C31H34N8O3/c1-36-7-8-41-27(18-36)20-42-26-10-28(31-23(11-32)14-35-39(31)19-26)22-4-5-29(33-13-22)37-16-24-9-25(17-37)38(24)15-21-3-6-30(40-2)34-12-21/h3-6,10,12-14,19,24-25,27H,7-9,15-18,20H2,1-2H3/t24?,25?,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296547 (6-(2-hydroxy-2- methylpropoxy)-4- (6-(6-(4- methox...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cc1 Show InChI InChI=1S/C30H32N6O3/c1-30(2,37)19-39-26-11-27(29-22(12-31)14-33-36(29)18-26)21-6-9-28(32-13-21)34-16-23-10-24(17-34)35(23)15-20-4-7-25(38-3)8-5-20/h4-9,11,13-14,18,23-24,37H,10,15-17,19H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.40	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296597 (4-(6-(6-(4- (difluoromethoxy) benzyl)-3,6- diazabi...) Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CC3CC(C2)N3Cc2ccc(OC(F)F)cc2)c2c(cnn2c1)C#N Show InChI InChI=1S/C30H30F2N6O3/c1-30(2,39)18-40-25-10-26(28-21(11-33)13-35-38(28)17-25)20-5-8-27(34-12-20)36-15-22-9-23(16-36)37(22)14-19-3-6-24(7-4-19)41-29(31)32/h3-8,10,12-13,17,22-23,29,39H,9,14-16,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.40	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296205 (US10112942, Example 12 | US10137124, Example 12 | ...) Show SMILES COCCOc1cc(-c2ccc(nc2)N2CCN(Cc3ccccc3)CC2)c2c(cnn2c1)C#N Show InChI InChI=1S/C27H28N6O2/c1-34-13-14-35-24-15-25(27-23(16-28)18-30-33(27)20-24)22-7-8-26(29-17-22)32-11-9-31(10-12-32)19-21-5-3-2-4-6-21/h2-8,15,17-18,20H,9-14,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296711 (US10112942, Example 446 | US10137124, Example 446 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCN3CCCC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C31H34N8O2/c1-40-30-7-4-22(15-34-30)18-38-25-12-26(38)20-37(19-25)29-6-5-23(16-33-29)28-13-27(41-11-10-36-8-2-3-9-36)21-39-31(28)24(14-32)17-35-39/h4-7,13,15-17,21,25-26H,2-3,8-12,18-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296700 (US10112942, Example 435 | US10137124, Example 435 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@@H]3CNC(C)(C)CO3)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C32H36N8O3/c1-32(2)20-43-27(14-36-32)19-42-26-9-28(31-23(10-33)13-37-40(31)18-26)22-5-6-29(34-12-22)38-16-24-8-25(17-38)39(24)15-21-4-7-30(41-3)35-11-21/h4-7,9,11-13,18,24-25,27,36H,8,14-17,19-20H2,1-3H3/t24?,25?,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296713 (US10112942, Example 448 | US10137124, Example 448 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H30N8O2/c1-38-28-5-2-19(11-33-28)14-36-23-6-24(36)16-35(15-23)27-4-3-21(12-32-27)26-7-25(39-18-20-9-31-10-20)17-37-29(26)22(8-30)13-34-37/h2-5,7,11-13,17,20,23-24,31H,6,9-10,14-16,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296581 (US10112942, Example 315 | US10137124, Example 315 ...) Show SMILES COc1c(F)cc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cc1F Show InChI InChI=1S/C30H30F2N6O3/c1-30(2,39)17-41-23-9-24(28-20(10-33)12-35-38(28)16-23)19-4-5-27(34-11-19)36-14-21-8-22(15-36)37(21)13-18-6-25(31)29(40-3)26(32)7-18/h4-7,9,11-12,16,21-22,39H,8,13-15,17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296731 (US10112942, Example 466 | US10137124, Example 466 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3cncn3C)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C30H29N9O2/c1-36-19-32-13-25(36)18-41-26-8-27(30-22(9-31)12-35-39(30)17-26)21-4-5-28(33-11-21)37-15-23-7-24(16-37)38(23)14-20-3-6-29(40-2)34-10-20/h3-6,8,10-13,17,19,23-24H,7,14-16,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296543 (US10112942, Example 277 | US10137124, Example 277 ...) Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CCN(CC2)C(=O)C(N)c2ccc(F)cc2)c2c(cnn2c1)C#N Show InChI InChI=1S/C29H30FN7O3/c1-29(2,39)18-40-23-13-24(27-21(14-31)16-34-37(27)17-23)20-5-8-25(33-15-20)35-9-11-36(12-10-35)28(38)26(32)19-3-6-22(30)7-4-19/h3-8,13,15-17,26,39H,9-12,18,32H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296589 (US10112942, Example 323 | US10137124, Example 323 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cc1F Show InChI InChI=1S/C30H31FN6O3/c1-30(2,38)18-40-24-10-25(29-21(11-32)13-34-37(29)17-24)20-5-7-28(33-12-20)35-15-22-9-23(16-35)36(22)14-19-4-6-27(39-3)26(31)8-19/h4-8,10,12-13,17,22-23,38H,9,14-16,18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.90	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296226 (US10112942, Example 33 | US10137124, Example 33 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCN(CC2)C(=O)[C@H](O)c2ccc(F)cc2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C27H25FN6O3/c1-2-37-22-13-23(25-20(14-29)16-31-34(25)17-22)19-5-8-24(30-15-19)32-9-11-33(12-10-32)27(36)26(35)18-3-6-21(28)7-4-18/h3-8,13,15-17,26,35H,2,9-12H2,1H3/t26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.90	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296772 (US10112942, Example 507 | US10137124, Example 507 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@@H]3C[C@H]2CN3c2ccc(OC)nc2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C26H25N7O2/c1-3-35-22-9-23(26-18(10-27)12-30-33(26)16-22)17-4-6-24(28-11-17)32-15-20-8-21(32)14-31(20)19-5-7-25(34-2)29-13-19/h4-7,9,11-13,16,20-21H,3,8,14-15H2,1-2H3/t20-,21-/m0/s1	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
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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296814 (US10112942, Example 549 | US10137124, Example 549 ...) Show SMILES COc1ncc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OCCN3CCOCC3)cn3ncc(C#N)c23)cc1Cl Show InChI InChI=1S/C30H32ClN9O3/c1-41-30-26(31)8-20(12-35-30)16-39-22-9-23(39)18-38(17-22)28-15-33-27(14-34-28)25-10-24(19-40-29(25)21(11-32)13-36-40)43-7-4-37-2-5-42-6-3-37/h8,10,12-15,19,22-23H,2-7,9,16-18H2,1H3	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
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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296824 (6-ethoxy-4-(5-(6-((6- methoxy-5- methylpyridin-3- ...) Show SMILES CCOc1cc(-c2cnc(cn2)N2CC3CC(C2)N3Cc2cnc(OC)c(C)c2)c2c(cnn2c1)C#N Show InChI InChI=1S/C27H28N8O2/c1-4-37-22-7-23(26-19(8-28)10-32-35(26)16-22)24-11-30-25(12-29-24)33-14-20-6-21(15-33)34(20)13-18-5-17(2)27(36-3)31-9-18/h5,7,9-12,16,20-21H,4,6,13-15H2,1-3H3	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
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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296394 (US10112942, Example 128 | US10137124, Example 128 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@@H](C)O)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C28H29N7O3/c1-18(36)17-38-24-8-25(28-21(9-29)12-32-35(28)16-24)20-4-5-26(30-11-20)33-14-22-7-23(15-33)34(22)13-19-3-6-27(37-2)31-10-19/h3-6,8,10-12,16,18,22-23,36H,7,13-15,17H2,1-2H3/t18-,22?,23?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296546 (US10112942, Example 280 | US10137124, Example 280 ...) Show SMILES CCc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C30H33N7O2/c1-4-23-7-5-20(12-32-23)15-36-24-9-25(36)17-35(16-24)28-8-6-21(13-33-28)27-10-26(39-19-30(2,3)38)18-37-29(27)22(11-31)14-34-37/h5-8,10,12-14,18,24-25,38H,4,9,15-17,19H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M] (Homo sapiens (Human))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M] (Homo sapiens (Human))	BDBM296735 (US10112942, Example 470 | US10137124, Example 470 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCn3ccnc3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C30H29N9O2/c1-40-29-5-2-21(13-34-29)16-38-24-10-25(38)18-37(17-24)28-4-3-22(14-33-28)27-11-26(41-9-8-36-7-6-32-20-36)19-39-30(27)23(12-31)15-35-39/h2-7,11,13-15,19-20,24-25H,8-10,16-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.4	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296703 (US10112942, Example 438 | US10137124, Example 438 ...) Show SMILES COc1ncc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCN3CCOCC3)cn3ncc(C#N)c23)cc1Cl Show InChI InChI=1S/C31H33ClN8O3/c1-41-31-28(32)10-21(14-35-31)17-39-24-11-25(39)19-38(18-24)29-3-2-22(15-34-29)27-12-26(20-40-30(27)23(13-33)16-36-40)43-9-6-37-4-7-42-8-5-37/h2-3,10,12,14-16,20,24-25H,4-9,11,17-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.4	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296515 (US10112942, Example 249 | US10137124, Example 249 ...) Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CC3CC(C2)N3Cc2ccc3ncccc3c2)c2c(cnn2c1)C#N Show InChI InChI=1S/C32H31N7O2/c1-32(2,40)20-41-27-12-28(31-24(13-33)15-36-39(31)19-27)23-6-8-30(35-14-23)37-17-25-11-26(18-37)38(25)16-21-5-7-29-22(10-21)4-3-9-34-29/h3-10,12,14-15,19,25-26,40H,11,16-18,20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296724 (US10112942, Example 459 | US10137124, Example 459 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC3C[C@H](O)C3)cn3ncc(C#N)c23)cn1 |r,wU:26.29,(12.54,-2.37,;11.21,-1.6,;9.87,-2.37,;8.54,-1.6,;7.21,-2.37,;7.21,-3.91,;5.87,-4.68,;4.54,-3.91,;3.21,-4.68,;3.21,-3.14,;4.54,-2.37,;3.21,-1.6,;1.87,-2.37,;1.87,-3.91,;.54,-1.6,;-.8,-2.37,;-2.13,-1.6,;-2.13,-.06,;-.8,.71,;.54,-.06,;-3.46,.71,;-4.8,-.06,;-6.13,.71,;-7.46,-.06,;-8.95,.33,;-9.72,1.67,;-11.05,.9,;-12.54,1.3,;-10.28,-.44,;-6.13,2.25,;-4.8,3.02,;-4.48,4.52,;-2.94,4.68,;-2.32,3.28,;-.83,2.88,;.66,2.48,;-3.46,2.25,;8.54,-4.68,;9.87,-3.91,)| Show InChI InChI=1S/C29H29N7O3/c1-38-28-5-2-18(11-32-28)14-35-21-6-22(35)16-34(15-21)27-4-3-19(12-31-27)26-9-25(39-24-7-23(37)8-24)17-36-29(26)20(10-30)13-33-36/h2-5,9,11-13,17,21-24,37H,6-8,14-16H2,1H3/t21?,22?,23-,24?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M] (Homo sapiens (Human))	BDBM296816 (US10112942, Example 551 | US10137124, Example 551 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OC[C@@H]3CNCCO3)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C29H31N9O3/c1-39-28-3-2-19(9-34-28)14-37-21-6-22(37)16-36(15-21)27-13-32-26(12-33-27)25-7-23(41-18-24-11-31-4-5-40-24)17-38-29(25)20(8-30)10-35-38/h2-3,7,9-10,12-13,17,21-22,24,31H,4-6,11,14-16,18H2,1H3/t21?,22?,24-/m0/s1	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
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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296715 (US10112942, Example 450 | US10137124, Example 450 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3CN(C3)C(C)=O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C31H32N8O3/c1-20(40)36-13-22(14-36)19-42-27-8-28(31-24(9-32)12-35-39(31)18-27)23-4-5-29(33-11-23)37-16-25-7-26(17-37)38(25)15-21-3-6-30(41-2)34-10-21/h3-6,8,10-12,18,22,25-26H,7,13-17,19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.4	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296212 (US10112942, Example 19 | US10137124, Example 19 | ...) Show SMILES CN1CC(CCOc2cc(-c3ccc(nc3)N3CCN(Cc4ccccc4)CC3)c3c(cnn3c2)C#N)C1 Show InChI InChI=1S/C30H33N7O/c1-34-19-24(20-34)9-14-38-27-15-28(30-26(16-31)18-33-37(30)22-27)25-7-8-29(32-17-25)36-12-10-35(11-13-36)21-23-5-3-2-4-6-23/h2-8,15,17-18,22,24H,9-14,19-21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.4	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296590 (4-(6-(6-(3-chloro- 4- methoxybenzyl)- 3,6- diazabi...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cc1Cl Show InChI InChI=1S/C30H31ClN6O3/c1-30(2,38)18-40-24-10-25(29-21(11-32)13-34-37(29)17-24)20-5-7-28(33-12-20)35-15-22-9-23(16-35)36(22)14-19-4-6-27(39-3)26(31)8-19/h4-8,10,12-13,17,22-23,38H,9,14-16,18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.4	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296211 (US10112942, Example 18 | US10137124, Example 18 | ...) Show SMILES N#Cc1cnn2cc(OCC3COC3)cc(-c3ccc(nc3)N3CCN(Cc4ccccc4)CC3)c12 Show InChI InChI=1S/C28H28N6O2/c29-13-24-15-31-34-17-25(36-20-22-18-35-19-22)12-26(28(24)34)23-6-7-27(30-14-23)33-10-8-32(9-11-33)16-21-4-2-1-3-5-21/h1-7,12,14-15,17,22H,8-11,16,18-20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.7	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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296714 (US10112942, Example 449 | US10137124, Example 449 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3CN(C)C3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C30H32N8O2/c1-35-13-21(14-35)19-40-26-8-27(30-23(9-31)12-34-38(30)18-26)22-4-5-28(32-11-22)36-16-24-7-25(17-36)37(24)15-20-3-6-29(39-2)33-10-20/h3-6,8,10-12,18,21,24-25H,7,13-17,19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.9	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

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