Compile Data Set for Download or QSAR

Found 1630 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1052   

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))	BDBM305704 (2-chloro-N-((3S,4S)-1-(5- (3-cyano-6- ethoxypyrazo...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CC[C@H](NC(=O)c3cc(F)ccc3Cl)[C@@H](O)C2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C27H24ClFN6O3/c1-2-38-19-10-20(26-17(11-30)13-32-35(26)14-19)16-3-6-25(31-12-16)34-8-7-23(24(36)15-34)33-27(37)21-9-18(29)4-5-22(21)28/h3-6,9-10,12-14,23-24,36H,2,7-8,15H2,1H3,(H,33,37)/t23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305757 (3-chloro-N-(1-(5-(3- cyano-6- ethoxypyrazolo[1,5- ...) Show SMILES CCOc1cc(-c2cnc(cn2)N2CCC(C)(CC2)NC(=O)c2ncc(F)cc2Cl)c2c(cnn2c1)C#N Show InChI InChI=1S/C26H24ClFN8O2/c1-3-38-18-9-19(24-16(10-29)11-33-36(24)15-18)21-13-31-22(14-30-21)35-6-4-26(2,5-7-35)34-25(37)23-20(27)8-17(28)12-32-23/h8-9,11-15H,3-7H2,1-2H3,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305759 (3-chloro-N-(1-(5-(3- cyano-6- ethoxypyrazolo[1,5- ...) Show SMILES CCOc1cc(-c2cnc(cn2)N2CCC(C)(CC2)NC(=O)c2nc(C)ccc2Cl)c2c(cnn2c1)C#N Show InChI InChI=1S/C27H27ClN8O2/c1-4-38-19-11-20(25-18(12-29)13-32-36(25)16-19)22-14-31-23(15-30-22)35-9-7-27(3,8-10-35)34-26(37)24-21(28)6-5-17(2)33-24/h5-6,11,13-16H,4,7-10H2,1-3H3,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305765 (2-chloro-N-(1-(5-(3- cyano-6- hydroxypyrazolo [1,5...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(O)cn2ncc(C#N)c12 Show InChI InChI=1S/C26H24ClN7O2/c1-16-4-3-5-20(27)23(16)25(36)32-26(2)6-8-33(9-7-26)22-14-29-21(13-30-22)19-10-18(35)15-34-24(19)17(11-28)12-31-34/h3-5,10,12-15,35H,6-9H2,1-2H3,(H,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305705 (2-chloro-N-((3S,4S)-1-(5- (3-cyano-6- ethoxypyrazo...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CC[C@H](NC(=O)c3c(F)cccc3Cl)[C@@H](O)C2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C27H24ClFN6O3/c1-2-38-18-10-19(26-17(11-30)13-32-35(26)14-18)16-6-7-24(31-12-16)34-9-8-22(23(36)15-34)33-27(37)25-20(28)4-3-5-21(25)29/h3-7,10,12-14,22-23,36H,2,8-9,15H2,1H3,(H,33,37)/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305468 (US10144734, Example 485 | US10172845, Example 485 ...) Show SMILES Cc1ccc(F)cc1C(=O)NC1(C)CCN(CC1)c1ccc(cn1)-c1cc(O)cn2ncc(C#N)c12 Show InChI InChI=1S/C27H25FN6O2/c1-17-3-5-20(28)11-22(17)26(36)32-27(2)7-9-33(10-8-27)24-6-4-18(14-30-24)23-12-21(35)16-34-25(23)19(13-29)15-31-34/h3-6,11-12,14-16,35H,7-10H2,1-2H3,(H,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305672 (US10144734, Example 690 | US10172845, Example 690 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OC[C@@H]2CNCCO2)cn2ncc(C#N)c12 |r| Show InChI InChI=1S/C31H33ClN8O3/c1-20-4-3-5-25(32)28(20)30(41)38-31(2)6-9-39(10-7-31)27-17-35-26(16-36-27)24-12-22(43-19-23-15-34-8-11-42-23)18-40-29(24)21(13-33)14-37-40/h3-5,12,14,16-18,23,34H,6-11,15,19H2,1-2H3,(H,38,41)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305707 (N-((3S,4S)-1-(5-(3-cyano- 6-ethoxypyrazolo[1,5- a]...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CC[C@H](NC(=O)c3cc(F)ccc3C)[C@@H](O)C2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C28H27FN6O3/c1-3-38-21-11-23(27-19(12-30)14-32-35(27)15-21)18-5-7-26(31-13-18)34-9-8-24(25(36)16-34)33-28(37)22-10-20(29)6-4-17(22)2/h4-7,10-11,13-15,24-25,36H,3,8-9,16H2,1-2H3,(H,33,37)/t24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305724 (4-(6-(4-(3-fluorobenzyl)- 4-hydroxypiperidin-1- yl...) Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CCC(O)(Cc3cccc(F)c3)CC2)c2c(cnn2c1)C#N Show InChI InChI=1S/C29H30FN5O3/c1-28(2,36)19-38-24-13-25(27-22(15-31)17-33-35(27)18-24)21-6-7-26(32-16-21)34-10-8-29(37,9-11-34)14-20-4-3-5-23(30)12-20/h3-7,12-13,16-18,36-37H,8-11,14,19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305752 (US10144734, Example 770 | US10172845, Example 770 ...) Show SMILES COc1cc(-c2cnc(cn2)N2CCC(Cc3ccccc3)(CC2)NC(=O)[C@H](O)CO)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C28H29N7O4/c1-39-21-11-22(26-20(13-29)14-32-35(26)17-21)23-15-31-25(16-30-23)34-9-7-28(8-10-34,33-27(38)24(37)18-36)12-19-5-3-2-4-6-19/h2-6,11,14-17,24,36-37H,7-10,12,18H2,1H3,(H,33,38)/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305355 (US10144734, Example 371 | US10172845, Example 371 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(C)(CC2)S(=O)(=O)CC(C)C)c2c(cnn2c1)C#N Show InChI InChI=1S/C25H31N5O3S/c1-5-33-21-12-22(24-20(13-26)15-28-30(24)16-21)19-6-7-23(27-14-19)29-10-8-25(4,9-11-29)34(31,32)17-18(2)3/h6-7,12,14-16,18H,5,8-11,17H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305346 (US10144734, Example 362 | US10172845, Example 362 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2ccccn2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C24H23N7O2/c1-2-32-18-9-19(24-17(10-25)12-29-31(24)13-18)16-6-7-22(28-11-16)30-14-20(26)21(15-30)33-23-5-3-4-8-27-23/h3-9,11-13,20-21H,2,14-15,26H2,1H3/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305687 (US10144734, Example 705 | US10172845, Example 705 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCC2(F)CCNC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C31H32ClFN8O2/c1-20-4-3-5-24(32)27(20)29(42)39-30(2)7-10-40(11-8-30)26-16-36-25(15-37-26)23-12-22(43-19-31(33)6-9-35-18-31)17-41-28(23)21(13-34)14-38-41/h3-5,12,14-17,35H,6-11,18-19H2,1-2H3,(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305171 (4-(6-(3-(3,5- difluorophenoxy)azetidin- 1-yl)pyrid...) Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CC(C2)Oc2cc(F)cc(F)c2)c2c(cnn2c1)C#N Show InChI InChI=1S/C26H23F2N5O3/c1-26(2,34)15-35-21-8-23(25-17(9-29)11-31-33(25)14-21)16-3-4-24(30-10-16)32-12-22(13-32)36-20-6-18(27)5-19(28)7-20/h3-8,10-11,14,22,34H,12-13,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305776 (2-chloro-N-(1-(5-(3- cyano-6- methoxypyrazolo[1,5-...) Show SMILES COc1cc(-c2cnc(cn2)N2CCC(C)(CC2)NC(=O)c2cc(F)ccc2Cl)c2c(cnn2c1)C#N Show InChI InChI=1S/C26H23ClFN7O2/c1-26(33-25(36)19-9-17(28)3-4-21(19)27)5-7-34(8-6-26)23-14-30-22(13-31-23)20-10-18(37-2)15-35-24(20)16(11-29)12-32-35/h3-4,9-10,12-15H,5-8H2,1-2H3,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305778 (3-chloro-N-(1-(5-(3- cyano-6- methoxypyrazolo[1,5-...) Show SMILES COc1cc(-c2cnc(cn2)N2CCC(C)(CC2)NC(=O)c2nc(C)ccc2Cl)c2c(cnn2c1)C#N Show InChI InChI=1S/C26H25ClN8O2/c1-16-4-5-20(27)23(32-16)25(36)33-26(2)6-8-34(9-7-26)22-14-29-21(13-30-22)19-10-18(37-3)15-35-24(19)17(11-28)12-31-35/h4-5,10,12-15H,6-9H2,1-3H3,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305789 (US10144734, Example 807 | US10172845, Example 807 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(Cc3ccccc3)(CC2)NC(=O)CO)c2c(cnn2c1)C#N Show InChI InChI=1S/C29H30N6O3/c1-2-38-24-14-25(28-23(16-30)18-32-35(28)19-24)22-8-9-26(31-17-22)34-12-10-29(11-13-34,33-27(37)20-36)15-21-6-4-3-5-7-21/h3-9,14,17-19,36H,2,10-13,15,20H2,1H3,(H,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305670 (US10144734, Example 688 | US10172845, Example 688 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OC[C@H]2CNCCO2)cn2ncc(C#N)c12 |r| Show InChI InChI=1S/C31H33ClN8O3/c1-20-4-3-5-25(32)28(20)30(41)38-31(2)6-9-39(10-7-31)27-17-35-26(16-36-27)24-12-22(43-19-23-15-34-8-11-42-23)18-40-29(24)21(13-33)14-37-40/h3-5,12,14,16-18,23,34H,6-11,15,19H2,1-2H3,(H,38,41)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305712 (N-((3S,4S)-3-amino-1-(5- (3-cyano-6- ethoxypyrazol...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CC[C@H](NC(=O)c3c(C)cccc3Cl)[C@@H](N)C2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C28H28ClN7O2/c1-3-38-20-11-21(27-19(12-30)14-33-36(27)15-20)18-7-8-25(32-13-18)35-10-9-24(23(31)16-35)34-28(37)26-17(2)5-4-6-22(26)29/h4-8,11,13-15,23-24H,3,9-10,16,31H2,1-2H3,(H,34,37)/t23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305713 (N-((3S,4S)-3-amino-1-(5- (3-cyano-6- ethoxypyrazol...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CC[C@H](NC(=O)c3cc(F)ccc3C)[C@@H](N)C2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C28H28FN7O2/c1-3-38-21-11-23(27-19(12-30)14-33-36(27)15-21)18-5-7-26(32-13-18)35-9-8-25(24(31)16-35)34-28(37)22-10-20(29)6-4-17(22)2/h4-7,10-11,13-15,24-25H,3,8-9,16,31H2,1-2H3,(H,34,37)/t24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305071 (US10144734, Example 87 | US10172845, Example 87 | ...) Show SMILES Cc1ncc(Cl)cc1C(=O)NC1(C)CCN(CC1)c1ccc(cn1)-c1cc(OCC(C)(C)O)cn2ncc(C#N)c12 Show InChI InChI=1S/C30H32ClN7O3/c1-19-24(11-22(31)16-33-19)28(39)36-30(4)7-9-37(10-8-30)26-6-5-20(14-34-26)25-12-23(41-18-29(2,3)40)17-38-27(25)21(13-32)15-35-38/h5-6,11-12,14-17,40H,7-10,18H2,1-4H3,(H,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305470 (US10144734, Example 487 | US10172845, Example 487 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(O)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C25H22ClN7O2/c1-25(31-24(35)22-20(26)3-2-8-28-22)6-9-32(10-7-25)21-5-4-16(13-29-21)19-11-18(34)15-33-23(19)17(12-27)14-30-33/h2-5,8,11,13-15,34H,6-7,9-10H2,1H3,(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305347 (US10144734, Example 363 | US10881652, Example 363) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2ccc(OC)cn2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H25N7O3/c1-3-34-19-8-20(25-17(9-26)11-30-32(25)13-19)16-4-6-23(28-10-16)31-14-21(27)22(15-31)35-24-7-5-18(33-2)12-29-24/h4-8,10-13,21-22H,3,14-15,27H2,1-2H3/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305367 (US10144734, Example 384 | US10172845, Example 384 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)c2ncccc2Cl)c2c(cnn2c1)C#N Show InChI InChI=1S/C29H31ClN8O2/c1-4-40-22-14-23(27-21(15-31)17-34-38(27)18-22)20-7-8-25(33-16-20)37-12-9-29(10-13-37,19-36(2)3)35-28(39)26-24(30)6-5-11-32-26/h5-8,11,14,16-18H,4,9-10,12-13,19H2,1-3H3,(H,35,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305368 (US10144734, Example 385 | US10172845, Example 385 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)CC(C)C)c2c(cnn2c1)C#N Show InChI InChI=1S/C28H37N7O2/c1-6-37-23-14-24(27-22(15-29)17-31-35(27)18-23)21-7-8-25(30-16-21)34-11-9-28(10-12-34,19-33(4)5)32-26(36)13-20(2)3/h7-8,14,16-18,20H,6,9-13,19H2,1-5H3,(H,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305152 (4-(6-(3-(3- fluorophenoxy)azetidin- 1-yl)pyridin-3...) Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CC(C2)Oc2cccc(F)c2)c2c(cnn2c1)C#N Show InChI InChI=1S/C26H24FN5O3/c1-26(2,33)16-34-21-9-23(25-18(10-28)12-30-32(25)15-21)17-6-7-24(29-11-17)31-13-22(14-31)35-20-5-3-4-19(27)8-20/h3-9,11-12,15,22,33H,13-14,16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305790 ((S)-N-(4-benzyl-1-(5-(3- cyano-6- ethoxypyrazolo[1...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(Cc3ccccc3)(CC2)NC(=O)C[C@H](C)O)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C31H34N6O3/c1-3-40-26-16-27(30-25(18-32)20-34-37(30)21-26)24-9-10-28(33-19-24)36-13-11-31(12-14-36,35-29(39)15-22(2)38)17-23-7-5-4-6-8-23/h4-10,16,19-22,38H,3,11-15,17H2,1-2H3,(H,35,39)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305795 ((R)-N-(4-benzyl-1-(5-(3- cyano-6- ethoxypyrazolo[1...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(Cc3ccccc3)(CC2)NC(=O)[C@H](O)CO)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C30H32N6O4/c1-2-40-24-14-25(28-23(16-31)18-33-36(28)19-24)22-8-9-27(32-17-22)35-12-10-30(11-13-35,34-29(39)26(38)20-37)15-21-6-4-3-5-7-21/h3-9,14,17-19,26,37-38H,2,10-13,15,20H2,1H3,(H,34,39)/t26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305579 (US10144734, Example 597 | US10172845, Example 597 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN3CCN(CC)CC3)(CC2)NC(=O)c2ncc(F)cc2Cl)c2c(cnn2c1)C#N Show InChI InChI=1S/C33H37ClFN9O2/c1-3-41-11-13-42(14-12-41)22-33(40-32(45)30-28(34)15-25(35)20-38-30)7-9-43(10-8-33)29-6-5-23(18-37-29)27-16-26(46-4-2)21-44-31(27)24(17-36)19-39-44/h5-6,15-16,18-21H,3-4,7-14,22H2,1-2H3,(H,40,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305675 (US10144734, Example 693 | US10172845, Example 693 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H35ClN8O2/c1-22-6-5-7-26(33)29(22)31(42)38-32(2)8-12-40(13-9-32)28-20-35-27(19-36-28)25-16-24(43-15-14-39-10-3-4-11-39)21-41-30(25)23(17-34)18-37-41/h5-7,16,18-21H,3-4,8-15H2,1-2H3,(H,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305693 (2-chloro-N-((3S,4S)-1-(5- (3-cyano-6- ethoxypyrazo...) Show SMILES CCOc1cc(-c2cnc(cn2)N2CC[C@H](NC(=O)c3c(F)cccc3Cl)[C@@H](O)C2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C26H23ClFN7O3/c1-2-38-16-8-17(25-15(9-29)10-32-35(25)13-16)21-11-31-23(12-30-21)34-7-6-20(22(36)14-34)33-26(37)24-18(27)4-3-5-19(24)28/h3-5,8,10-13,20,22,36H,2,6-7,14H2,1H3,(H,33,37)/t20-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305738 (6-ethoxy-4-(6-(4-(3- fluorobenzyl)-4- hydroxypiper...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(O)(Cc3cccc(F)c3)CC2)c2c(cnn2c1)C#N Show InChI InChI=1S/C27H26FN5O2/c1-2-35-23-13-24(26-21(15-29)17-31-33(26)18-23)20-6-7-25(30-16-20)32-10-8-27(34,9-11-32)14-19-4-3-5-22(28)12-19/h3-7,12-13,16-18,34H,2,8-11,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305285 (US10144734, Example 301 | US10172845, Example 301 ...) Show SMILES COc1cc(-c2ccc(nc2)N2CCC(C)(CC2)NC(=O)c2cc(F)ccc2C)c2c(cnn2c1)C#N Show InChI InChI=1S/C28H27FN6O2/c1-18-4-6-21(29)12-23(18)27(36)33-28(2)8-10-34(11-9-28)25-7-5-19(15-31-25)24-13-22(37-3)17-35-26(24)20(14-30)16-32-35/h4-7,12-13,15-17H,8-11H2,1-3H3,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305683 (US10144734, Example 701 | US10172845, Example 701 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C30H30ClFN8O2/c1-19-4-3-5-23(31)26(19)28(41)38-29(2)6-8-39(9-7-29)25-14-35-24(13-36-25)22-10-21(42-18-30(32)16-34-17-30)15-40-27(22)20(11-33)12-37-40/h3-5,10,12-15,34H,6-9,16-18H2,1-2H3,(H,38,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305680 (US10144734, Example 698 | US10172845, Example 698 ...) Show SMILES Cc1cccc(Cl)c1C(=O)NC1(C)CCN(CC1)c1cnc(cn1)-c1cc(OCCN2CCNCC2)cn2ncc(C#N)c12 Show InChI InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305417 (3-chloro-N-(1-(5-(3- cyano-6- methoxypyrazolo[1,5-...) Show SMILES COc1cc(-c2ccc(nc2)N2CCC(C)(CC2)NC(=O)c2ncc(F)cc2Cl)c2c(cnn2c1)C#N Show InChI InChI=1S/C26H23ClFN7O2/c1-26(33-25(36)23-21(27)9-18(28)14-31-23)5-7-34(8-6-26)22-4-3-16(12-30-22)20-10-19(37-2)15-35-24(20)17(11-29)13-32-35/h3-4,9-10,12-15H,5-8H2,1-2H3,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305638 (US10144734, Example 656 | US10172845, Example 656 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN3CCN(C)[C@@H](C)C3)(CC2)C(=O)NCC(C)C)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C32H44N8O2/c1-6-42-27-15-28(30-26(16-33)19-36-40(30)21-27)25-7-8-29(34-18-25)39-11-9-32(10-12-39,31(41)35-17-23(2)3)22-38-14-13-37(5)24(4)20-38/h7-8,15,18-19,21,23-24H,6,9-14,17,20,22H2,1-5H3,(H,35,41)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305511 (US10144734, Example 528 | US10172845, Example 528 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CC[C@H](NC(=O)c3ncccc3Cl)[C@H](O)C2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C26H24ClN7O3/c1-2-37-18-10-19(25-17(11-28)13-31-34(25)14-18)16-5-6-23(30-12-16)33-9-7-21(22(35)15-33)32-26(36)24-20(27)4-3-8-29-24/h3-6,8,10,12-14,21-22,35H,2,7,9,15H2,1H3,(H,32,36)/t21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305376 (US10144734, Example 393 | US10172845, Example 393 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN3CCN(CC)CC3)(CC2)NC(=O)CC2CC2)c2c(cnn2c1)C#N Show InChI InChI=1S/C32H42N8O2/c1-3-37-13-15-38(16-14-37)23-32(36-30(41)17-24-5-6-24)9-11-39(12-10-32)29-8-7-25(20-34-29)28-18-27(42-4-2)22-40-31(28)26(19-33)21-35-40/h7-8,18,20-22,24H,3-6,9-17,23H2,1-2H3,(H,36,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305633 (US10144734, Example 651 | US10172845, Example 651 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN3CCN[C@@H](C)C3)(CC2)C(=O)NCC(C)C)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C31H42N8O2/c1-5-41-26-14-27(29-25(15-32)18-36-39(29)20-26)24-6-7-28(34-17-24)38-11-8-31(9-12-38,30(40)35-16-22(2)3)21-37-13-10-33-23(4)19-37/h6-7,14,17-18,20,22-23,33H,5,8-13,16,19,21H2,1-4H3,(H,35,40)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305318 (US10144734, Example 334 | US10172845, Example 334 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(Cc3ccccc3)(CC2)NC(=O)CCO)c2c(cnn2c1)C#N Show InChI InChI=1S/C30H32N6O3/c1-2-39-25-16-26(29-24(18-31)20-33-36(29)21-25)23-8-9-27(32-19-23)35-13-11-30(12-14-35,34-28(38)10-15-37)17-22-6-4-3-5-7-22/h3-9,16,19-21,37H,2,10-15,17H2,1H3,(H,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305302 (US10144734, Example 318 | US10172845, Example 318 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(C)(CC2)NC(=O)c2ncccc2Cl)c2c(cnn2c1)C#N Show InChI InChI=1S/C27H26ClN7O2/c1-3-37-20-13-21(25-19(14-29)16-32-35(25)17-20)18-6-7-23(31-15-18)34-11-8-27(2,9-12-34)33-26(36)24-22(28)5-4-10-30-24/h4-7,10,13,15-17H,3,8-9,11-12H2,1-2H3,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305026 (US10144734, Example 42 | US10172845, Example 42 | ...) Show SMILES COc1ccc(OC2CCN(CC2)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C28H30N6O4/c1-28(2,35)18-37-23-12-24(27-20(13-29)15-32-34(27)17-23)19-4-6-25(30-14-19)33-10-8-21(9-11-33)38-22-5-7-26(36-3)31-16-22/h4-7,12,14-17,21,35H,8-11,18H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305374 (US10144734, Example 391 | US10172845, Example 391 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN3CCN(CC)CC3)(CC2)NC(=O)c2cc(F)ccc2F)c2c(cnn2c1)C#N Show InChI InChI=1S/C34H38F2N8O2/c1-3-41-13-15-42(16-14-41)23-34(40-33(45)29-17-26(35)6-7-30(29)36)9-11-43(12-10-34)31-8-5-24(20-38-31)28-18-27(46-4-2)22-44-32(28)25(19-37)21-39-44/h5-8,17-18,20-22H,3-4,9-16,23H2,1-2H3,(H,40,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305283 (US10144734, Example 299 | US10172845, Example 299 ...) Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CCC(C)(CC2)C(=O)Nc2c(F)cccc2F)c2c(cnn2c1)C#N Show InChI InChI=1S/C30H30F2N6O3/c1-29(2,40)18-41-21-13-22(27-20(14-33)16-35-38(27)17-21)19-7-8-25(34-15-19)37-11-9-30(3,10-12-37)28(39)36-26-23(31)5-4-6-24(26)32/h4-8,13,15-17,40H,9-12,18H2,1-3H3,(H,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305398 (US10144734, Example 415 | US10172845, Example 415 ...) Show SMILES C[C@@H](O)COc1cc(-c2ccc(nc2)N2CCC(CC2)Oc2ccc(C)nn2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C26H27N7O3/c1-17-3-6-25(31-30-17)36-21-7-9-32(10-8-21)24-5-4-19(13-28-24)23-11-22(35-16-18(2)34)15-33-26(23)20(12-27)14-29-33/h3-6,11,13-15,18,21,34H,7-10,16H2,1-2H3/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305799 (US10144734, Example 817 | US10172845, Example 817 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(Cc3ccccc3)(CC2)NC(=O)[C@H]2NCC[C@@H]2O)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C32H35N7O3/c1-2-42-25-16-26(30-24(18-33)20-36-39(30)21-25)23-8-9-28(35-19-23)38-14-11-32(12-15-38,17-22-6-4-3-5-7-22)37-31(41)29-27(40)10-13-34-29/h3-9,16,19-21,27,29,34,40H,2,10-15,17H2,1H3,(H,37,41)/t27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305711 (US10144734, Example 729 | US10172845, Example 729 ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2CC[C@H](NC(=O)c3ncccc3Cl)[C@@H](N)C2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C26H25ClN8O2/c1-2-37-18-10-19(25-17(11-28)13-32-35(25)14-18)16-5-6-23(31-12-16)34-9-7-22(21(29)15-34)33-26(36)24-20(27)4-3-8-30-24/h3-6,8,10,12-14,21-22H,2,7,9,15,29H2,1H3,(H,33,36)/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair

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