Compile Data Set for Download or QSAR

Found 951 hits Enz. Inhib. hit(s) with all data for entry = 8834   

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 Wnt-1 (Homo sapiens (human))	BDBM385060 (US10287267, Compound 69 | US10508099, Compound 69 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CC[C@H](F)C3)cc2c1 |r| Show InChI InChI=1S/C19H20FN5O/c1-24-10-16(9-22-24)13-2-3-14-8-21-18(7-15(14)6-13)23-19(26)12-25-5-4-17(20)11-25/h2-3,6-10,17H,4-5,11-12H2,1H3,(H,21,23,26)/t17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385064 (US10287267, Compound 71 | US10508099, Compound 71 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCO3)cc2c1 |r| Show InChI InChI=1S/C18H18N4O2/c1-22-11-15(10-20-22)12-4-5-13-9-19-17(8-14(13)7-12)21-18(23)16-3-2-6-24-16/h4-5,7-11,16H,2-3,6H2,1H3,(H,19,21,23)/t16-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385054 (US10287267, Compound 14 | US10508099, Compound 14 ...) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-10.28,-.61,;-11.19,.64,;-10.28,1.88,;-11.05,3.21,;-8.82,1.41,;8.52,2.18,;9.85,1.41,)| Show InChI InChI=1S/C26H34N6O/c1-30-9-11-32(12-10-30)17-19-3-5-20(6-4-19)26(33)29-25-14-23-13-21(7-8-22(23)15-27-25)24-16-28-31(2)18-24/h7-8,13-16,18-20H,3-6,9-12,17H2,1-2H3,(H,27,29,33)/t19-,20-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	354	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385041 (US10287267, Compound 1 | US10508099, Compound 1 | ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1 Show InChI InChI=1S/C17H16N4O/c1-21-10-15(9-19-21)12-4-5-13-8-18-16(7-14(13)6-12)20-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,18,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	650	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385042 (US10287267, Compound 3 | US10508099, Compound 3 | ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1 Show InChI InChI=1S/C20H20F2N4O/c1-26-12-17(11-24-26)14-2-3-15-10-23-18(9-16(15)8-14)25-19(27)13-4-6-20(21,22)7-5-13/h2-3,8-13H,4-7H2,1H3,(H,23,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM422047 (US10508099, Compound 4 | US10556885, Compound 4 | ...) Show SMILES CO[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:2.1,wD:5.8,(8.57,3.49,;8.57,1.95,;7.23,1.18,;7.19,-.38,;5.85,-1.15,;4.52,-.38,;4.52,1.15,;5.85,1.93,;3.19,-1.15,;3.19,-2.69,;1.85,-.38,;.52,-1.15,;-.82,-.38,;-2.15,-1.15,;-3.48,-.38,;-4.82,-1.15,;-4.82,-2.69,;-3.48,-3.47,;-2.15,-2.69,;-.82,-3.47,;.52,-2.69,;-6.15,-.38,;-7.61,-.86,;-8.52,.38,;-7.61,1.63,;-8.38,2.96,;-6.15,1.15,)| Show InChI InChI=1S/C21H24N4O2/c1-25-13-18(12-23-25)15-3-4-16-11-22-20(10-17(16)9-15)24-21(26)14-5-7-19(27-2)8-6-14/h3-4,9-14,19H,5-8H2,1-2H3,(H,22,24,26)/t14-,19-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	983	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385045 (US10287267, Compound 6 | US10508099, Compound 6 | ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wU:19.23,wD:16.16,(-9.72,2.58,;-8.95,1.25,;-7.48,.77,;-7.48,-.77,;-8.95,-1.25,;-9.85,,;-6.15,-1.54,;-6.15,-3.08,;-4.82,-3.85,;-3.48,-3.08,;-2.15,-3.85,;-.82,-3.08,;-.82,-1.54,;.52,-.77,;1.85,-1.54,;1.85,-3.08,;3.19,-.77,;4.52,-1.54,;5.85,-.77,;5.85,.77,;4.52,1.54,;3.19,.77,;7.19,1.54,;8.52,.77,;9.85,1.54,;9.85,3.08,;8.52,3.85,;7.19,3.08,;-2.15,-.77,;-3.48,-1.54,;-4.82,-.77,)| Show InChI InChI=1S/C24H29N5O2/c1-28-16-21(15-26-28)18-2-3-19-14-25-23(13-20(19)12-18)27-24(30)17-4-6-22(7-5-17)29-8-10-31-11-9-29/h2-3,12-17,22H,4-11H2,1H3,(H,25,27,30)/t17-,22-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385046 (US10287267, Compound 10 | US10508099, Compound 10 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](CN4CC(F)C4)CC3)cc2c1 |r,wU:19.20,wD:16.16,(-10.66,3.21,;-9.89,1.88,;-8.43,1.41,;-8.43,-.13,;-9.89,-.61,;-10.8,.64,;-7.09,-.9,;-7.09,-2.44,;-5.76,-3.21,;-4.43,-2.44,;-3.09,-3.21,;-1.76,-2.44,;-1.76,-.9,;-.43,-.13,;.91,-.9,;.91,-2.44,;2.24,-.13,;3.58,-.9,;4.91,-.13,;4.91,1.41,;6.24,2.18,;7.58,1.41,;7.98,-.08,;9.46,.32,;10.8,-.45,;9.06,1.8,;3.58,2.18,;2.24,1.41,;-3.09,-.13,;-4.43,-.9,;-5.76,-.13,)| Show InChI InChI=1S/C24H28FN5O/c1-29-13-21(11-27-29)18-6-7-19-10-26-23(9-20(19)8-18)28-24(31)17-4-2-16(3-5-17)12-30-14-22(25)15-30/h6-11,13,16-17,22H,2-5,12,14-15H2,1H3,(H,26,28,31)/t16-,17-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	277	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385364 (US10287267, Compound 1074 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-n1ccnn1 Show InChI InChI=1S/C21H25FN6O/c1-15(2)14-27-8-5-21(22,6-9-27)20(29)25-19-12-17-11-18(28-10-7-24-26-28)4-3-16(17)13-23-19/h3-4,7,10-13,15H,5-6,8-9,14H2,1-2H3,(H,23,25,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385365 (US10287267, Compound 1075 | US10508099, Compound 1...) Show SMILES CN(C)c1nnc(o1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1 Show InChI InChI=1S/C19H22N6O2/c1-25(2)19-24-23-18(27-19)13-3-4-14-11-21-16(10-15(14)9-13)22-17(26)12-5-7-20-8-6-12/h3-4,9-12,20H,5-8H2,1-2H3,(H,21,22,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.54E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385366 (US10287267, Compound 1076 | US10508099, Compound 1...) Show SMILES CN(C)c1nnc(o1)-c1ccc2cnc(NC(=O)C3CCN(C)CC3)cc2c1 Show InChI InChI=1S/C20H24N6O2/c1-25(2)20-24-23-19(28-20)14-4-5-15-12-21-17(11-16(15)10-14)22-18(27)13-6-8-26(3)9-7-13/h4-5,10-13H,6-9H2,1-3H3,(H,21,22,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385367 (US10287267, Compound 1077 | US10508099, Compound 1...) Show SMILES COC1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1 Show InChI InChI=1S/C21H25N5O2/c1-25-13-18(12-23-25)15-3-4-16-11-22-20(10-17(16)9-15)24-21(27)14-26-7-5-19(28-2)6-8-26/h3-4,9-13,19H,5-8,14H2,1-2H3,(H,22,24,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.19E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385368 (US10287267, Compound 1078 | US10508099, Compound 1...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCC(O)CC3)cc2c1 Show InChI InChI=1S/C20H23N5O2/c1-24-12-17(11-22-24)14-2-3-15-10-21-19(9-16(15)8-14)23-20(27)13-25-6-4-18(26)5-7-25/h2-3,8-12,18,26H,4-7,13H2,1H3,(H,21,23,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.03E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385369 (US10287267, Compound 1079 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C24H31N5O/c1-17(2)15-29-9-4-5-18(8-10-29)24(30)27-23-12-21-11-19(6-7-20(21)13-25-23)22-14-26-28(3)16-22/h6-7,11-14,16-18H,4-5,8-10,15H2,1-3H3,(H,25,27,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385370 (US10287267, Compound 1080 | US10508099, Compound 1...) Show SMILES CN1CCCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C21H25N5O/c1-25-8-3-4-15(7-9-25)21(27)24-20-11-18-10-16(5-6-17(18)12-22-20)19-13-23-26(2)14-19/h5-6,10-15H,3-4,7-9H2,1-2H3,(H,22,24,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385167 (US10287267, Compound 327 | US10508099, Compound 10...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,19-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385373 (US10287267, Compound 1083 | US10508099, Compound 1...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C34CC(CO)(C3)C4)cc2c1 Show InChI InChI=1S/C20H20N4O2/c1-24-8-16(7-22-24)13-2-3-14-6-21-17(5-15(14)4-13)23-18(26)20-9-19(10-20,11-20)12-25/h2-8,25H,9-12H2,1H3,(H,21,23,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.21E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM422353 (US10508099, Compound 1084 | US10556885, Compound 1...) Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(9.96,1.89,;8.62,1.14,;7.3,1.92,;7.32,3.46,;5.95,1.17,;5.85,-.38,;4.52,-1.15,;3.19,-.38,;3.19,1.15,;4.52,1.93,;1.85,-1.15,;1.85,-2.69,;.52,-.38,;-.82,-1.15,;-2.15,-.38,;-3.48,-1.15,;-4.82,-.38,;-6.15,-1.15,;-6.15,-2.69,;-4.82,-3.47,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-7.48,-.38,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)| Show InChI InChI=1S/C22H24N4O3/c1-26-13-19(12-24-26)16-7-8-17-11-23-20(10-18(17)9-16)25-21(27)14-3-5-15(6-4-14)22(28)29-2/h7-15H,3-6H2,1-2H3,(H,23,25,27)/t14-,15-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.41E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385067 (US10287267, Compound 1085 | US10287267, Compound 7...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1 Show InChI InChI=1S/C19H21N5O/c1-24-12-17(11-22-24)14-2-3-15-10-21-18(9-16(15)8-14)23-19(25)13-4-6-20-7-5-13/h2-3,8-13,20H,4-7H2,1H3,(H,21,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385079 (US10287267, Compound 1086 | US10287267, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H29N5O/c1-16(2)14-28-8-6-17(7-9-28)23(29)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,24,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	485	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385079 (US10287267, Compound 1086 | US10287267, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H29N5O/c1-16(2)14-28-8-6-17(7-9-28)23(29)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,24,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	514	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385378 (US10287267, Compound 1088 | US10508099, Compound 1...) Show SMILES CN1CCN(CC23CC(C2)(C3)C(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1 Show InChI InChI=1S/C25H30N6O/c1-29-5-7-31(8-6-29)17-24-14-25(15-24,16-24)23(32)28-22-10-20-9-18(3-4-19(20)11-26-22)21-12-27-30(2)13-21/h3-4,9-13H,5-8,14-17H2,1-2H3,(H,26,28,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385379 (US10287267, Compound 1090 | US10508099, Compound 1...) Show SMILES CN1CCC(CC1)NC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C20H24N6O/c1-25-7-5-18(6-8-25)23-20(27)24-19-10-16-9-14(3-4-15(16)11-21-19)17-12-22-26(2)13-17/h3-4,9-13,18H,5-8H2,1-2H3,(H2,21,23,24,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	722	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM422359 (US10508099, Compound 1091 | US10556885, Compound 1...) Show SMILES CN1CCN(CC1)C(=O)C1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:12.16,(11.19,-1.15,;9.85,-.38,;8.52,-1.15,;7.19,-.38,;7.19,1.15,;8.52,1.93,;9.85,1.15,;5.85,1.93,;5.85,3.47,;4.52,1.15,;3.19,1.93,;1.85,1.15,;1.85,-.38,;3.19,-1.15,;4.52,-.38,;.52,-1.15,;.52,-2.69,;-.82,-.38,;-2.15,-1.15,;-3.48,-.38,;-4.82,-1.15,;-6.15,-.38,;-7.48,-1.15,;-7.48,-2.69,;-6.15,-3.47,;-4.82,-2.69,;-3.48,-3.47,;-2.15,-2.69,;-8.82,-.38,;-10.28,-.86,;-11.19,.38,;-10.28,1.63,;-11.05,2.96,;-8.82,1.15,)| Show InChI InChI=1S/C26H32N6O2/c1-30-9-11-32(12-10-30)26(34)19-5-3-18(4-6-19)25(33)29-24-14-22-13-20(7-8-21(22)15-27-24)23-16-28-31(2)17-23/h7-8,13-19H,3-6,9-12H2,1-2H3,(H,27,29,33)/t18-,19?	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385381 (US10287267, Compound 1092 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C Show InChI InChI=1S/C21H27N7O/c1-14(2)13-28-8-6-15(7-9-28)21(29)23-19-11-18-10-16(4-5-17(18)12-22-19)20-24-25-26-27(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	247	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385128 (US10287267, Compound 284 | US10287267, Compound 30...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1 Show InChI InChI=1S/C19H21N5O/c1-23-12-17(11-21-23)14-4-5-15-10-20-18(9-16(15)8-14)22-19(25)13-24-6-2-3-7-24/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,20,22,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385041 (US10287267, Compound 1 | US10508099, Compound 1 | ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1 Show InChI InChI=1S/C17H16N4O/c1-21-10-15(9-19-21)12-4-5-13-8-18-16(7-14(13)6-12)20-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385042 (US10287267, Compound 3 | US10508099, Compound 3 | ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1 Show InChI InChI=1S/C20H20F2N4O/c1-26-12-17(11-24-26)14-2-3-15-10-23-18(9-16(15)8-14)25-19(27)13-4-6-20(21,22)7-5-13/h2-3,8-13H,4-7H2,1H3,(H,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM422047 (US10508099, Compound 4 | US10556885, Compound 4 | ...) Show SMILES CO[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:2.1,wD:5.8,(8.57,3.49,;8.57,1.95,;7.23,1.18,;7.19,-.38,;5.85,-1.15,;4.52,-.38,;4.52,1.15,;5.85,1.93,;3.19,-1.15,;3.19,-2.69,;1.85,-.38,;.52,-1.15,;-.82,-.38,;-2.15,-1.15,;-3.48,-.38,;-4.82,-1.15,;-4.82,-2.69,;-3.48,-3.47,;-2.15,-2.69,;-.82,-3.47,;.52,-2.69,;-6.15,-.38,;-7.61,-.86,;-8.52,.38,;-7.61,1.63,;-8.38,2.96,;-6.15,1.15,)| Show InChI InChI=1S/C21H24N4O2/c1-25-13-18(12-23-25)15-3-4-16-11-22-20(10-17(16)9-15)24-21(26)14-5-7-19(27-2)8-6-14/h3-4,9-14,19H,5-8H2,1-2H3,(H,22,24,26)/t14-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385045 (US10287267, Compound 6 | US10508099, Compound 6 | ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wU:19.23,wD:16.16,(-9.72,2.58,;-8.95,1.25,;-7.48,.77,;-7.48,-.77,;-8.95,-1.25,;-9.85,,;-6.15,-1.54,;-6.15,-3.08,;-4.82,-3.85,;-3.48,-3.08,;-2.15,-3.85,;-.82,-3.08,;-.82,-1.54,;.52,-.77,;1.85,-1.54,;1.85,-3.08,;3.19,-.77,;4.52,-1.54,;5.85,-.77,;5.85,.77,;4.52,1.54,;3.19,.77,;7.19,1.54,;8.52,.77,;9.85,1.54,;9.85,3.08,;8.52,3.85,;7.19,3.08,;-2.15,-.77,;-3.48,-1.54,;-4.82,-.77,)| Show InChI InChI=1S/C24H29N5O2/c1-28-16-21(15-26-28)18-2-3-19-14-25-23(13-20(19)12-18)27-24(30)17-4-6-22(7-5-17)29-8-10-31-11-9-29/h2-3,12-17,22H,4-11H2,1H3,(H,25,27,30)/t17-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385046 (US10287267, Compound 10 | US10508099, Compound 10 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](CN4CC(F)C4)CC3)cc2c1 |r,wU:19.20,wD:16.16,(-10.66,3.21,;-9.89,1.88,;-8.43,1.41,;-8.43,-.13,;-9.89,-.61,;-10.8,.64,;-7.09,-.9,;-7.09,-2.44,;-5.76,-3.21,;-4.43,-2.44,;-3.09,-3.21,;-1.76,-2.44,;-1.76,-.9,;-.43,-.13,;.91,-.9,;.91,-2.44,;2.24,-.13,;3.58,-.9,;4.91,-.13,;4.91,1.41,;6.24,2.18,;7.58,1.41,;7.98,-.08,;9.46,.32,;10.8,-.45,;9.06,1.8,;3.58,2.18,;2.24,1.41,;-3.09,-.13,;-4.43,-.9,;-5.76,-.13,)| Show InChI InChI=1S/C24H28FN5O/c1-29-13-21(11-27-29)18-6-7-19-10-26-23(9-20(19)8-18)28-24(31)17-4-2-16(3-5-17)12-30-14-22(25)15-30/h6-11,13,16-17,22H,2-5,12,14-15H2,1H3,(H,26,28,31)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385054 (US10287267, Compound 14 | US10508099, Compound 14 ...) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-10.28,-.61,;-11.19,.64,;-10.28,1.88,;-11.05,3.21,;-8.82,1.41,;8.52,2.18,;9.85,1.41,)| Show InChI InChI=1S/C26H34N6O/c1-30-9-11-32(12-10-30)17-19-3-5-20(6-4-19)26(33)29-25-14-23-13-21(7-8-22(23)15-27-25)24-16-28-31(2)18-24/h7-8,13-16,18-20H,3-6,9-12,17H2,1-2H3,(H,27,29,33)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385056 (US10287267, Compound 16 | US10508099, Compound 16 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CNC3)cc2c1 Show InChI InChI=1S/C17H17N5O/c1-22-10-15(9-20-22)11-2-3-12-8-19-16(5-13(12)4-11)21-17(23)14-6-18-7-14/h2-5,8-10,14,18H,6-7H2,1H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.90	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385060 (US10287267, Compound 69 | US10508099, Compound 69 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CC[C@H](F)C3)cc2c1 |r| Show InChI InChI=1S/C19H20FN5O/c1-24-10-16(9-22-24)13-2-3-14-8-21-18(7-15(14)6-13)23-19(26)12-25-5-4-17(20)11-25/h2-3,6-10,17H,4-5,11-12H2,1H3,(H,21,23,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.20	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385064 (US10287267, Compound 71 | US10508099, Compound 71 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCO3)cc2c1 |r| Show InChI InChI=1S/C18H18N4O2/c1-22-11-15(10-20-22)12-4-5-13-9-19-17(8-14(13)7-12)21-18(23)16-3-2-6-24-16/h4-5,7-11,16H,2-3,6H2,1H3,(H,19,21,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	13.6	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385067 (US10287267, Compound 1085 | US10287267, Compound 7...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1 Show InChI InChI=1S/C19H21N5O/c1-24-12-17(11-22-24)14-2-3-15-10-21-18(9-16(15)8-14)23-19(25)13-4-6-20-7-5-13/h2-3,8-13,20H,4-7H2,1H3,(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385069 (US10287267, Compound 73 | US10508099, Compound 73 ...) Show SMILES CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C20H23N5O/c1-24-7-5-14(6-8-24)20(26)23-19-10-17-9-15(3-4-16(17)11-21-19)18-12-22-25(2)13-18/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385073 (US10287267, Compound 75 | US10508099, Compound 75 ...) Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C22H27N5O/c1-15(2)27-8-6-16(7-9-27)22(28)25-21-11-19-10-17(4-5-18(19)12-23-21)20-13-24-26(3)14-20/h4-5,10-16H,6-9H2,1-3H3,(H,23,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385078 (US10287267, Compound 76 | US10508099, Compound 76 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C3CC3)cc2c1 Show InChI InChI=1S/C22H25N5O/c1-26-14-19(13-24-26)16-2-3-17-12-23-21(11-18(17)10-16)25-22(28)15-6-8-27(9-7-15)20-4-5-20/h2-3,10-15,20H,4-9H2,1H3,(H,23,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385079 (US10287267, Compound 1086 | US10287267, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H29N5O/c1-16(2)14-28-8-6-17(7-9-28)23(29)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,24,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385080 (US10287267, Compound 78 | US10508099, Compound 78 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(C)C)CC3)cc2c1 Show InChI InChI=1S/C24H31N5O/c1-24(2,3)16-29-9-7-17(8-10-29)23(30)27-22-12-20-11-18(5-6-19(20)13-25-22)21-14-26-28(4)15-21/h5-6,11-15,17H,7-10,16H2,1-4H3,(H,25,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385081 (US10287267, Compound 81 | US10508099, Compound 81 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCF)CC3)cc2c1 Show InChI InChI=1S/C21H24FN5O/c1-26-14-19(13-24-26)16-2-3-17-12-23-20(11-18(17)10-16)25-21(28)15-4-7-27(8-5-15)9-6-22/h2-3,10-15H,4-9H2,1H3,(H,23,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385082 (US10287267, Compound 304 | US10287267, Compound 82...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1 Show InChI InChI=1S/C22H24F3N5O/c1-29-14-19(13-27-29)16-2-3-17-12-26-20(11-18(17)10-16)28-21(31)15-4-7-30(8-5-15)9-6-22(23,24)25/h2-3,10-15H,4-9H2,1H3,(H,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385083 (US10287267, Compound 83 | US10508099, Compound 83 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(F)F)CC3)cc2c1 Show InChI InChI=1S/C22H25F2N5O/c1-22(23,24)14-29-7-5-15(6-8-29)21(30)27-20-10-18-9-16(3-4-17(18)11-25-20)19-12-26-28(2)13-19/h3-4,9-13,15H,5-8,14H2,1-2H3,(H,25,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385084 (US10287267, Compound 84 | US10508099, Compound 84 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC(F)F)CC3)cc2c1 Show InChI InChI=1S/C21H23F2N5O/c1-27-12-18(11-25-27)15-2-3-16-10-24-20(9-17(16)8-15)26-21(29)14-4-6-28(7-5-14)13-19(22)23/h2-3,8-12,14,19H,4-7,13H2,1H3,(H,24,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385085 (US10287267, Compound 85 | US10508099, Compound 85 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(C)F)CC3)cc2c1 Show InChI InChI=1S/C23H28FN5O/c1-23(2,24)15-29-8-6-16(7-9-29)22(30)27-21-11-19-10-17(4-5-18(19)12-25-21)20-13-26-28(3)14-20/h4-5,10-14,16H,6-9,15H2,1-3H3,(H,25,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385086 (US10287267, Compound 86 | US10508099, Compound 86 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C3COC3)cc2c1 Show InChI InChI=1S/C22H25N5O2/c1-26-12-19(11-24-26)16-2-3-17-10-23-21(9-18(17)8-16)25-22(28)15-4-6-27(7-5-15)20-13-29-14-20/h2-3,8-12,15,20H,4-7,13-14H2,1H3,(H,23,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385087 (US10287267, Compound 87 | US10508099, Compound 87 ...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(C)COC4)CC3)cc2c1 Show InChI InChI=1S/C24H29N5O2/c1-24(15-31-16-24)14-29-7-5-17(6-8-29)23(30)27-22-10-20-9-18(3-4-19(20)11-25-22)21-12-26-28(2)13-21/h3-4,9-13,17H,5-8,14-16H2,1-2H3,(H,25,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385088 (US10287267, Compound 89 | US10508099, Compound 89 ...) Show SMILES COCCN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C22H27N5O2/c1-26-15-20(14-24-26)17-3-4-18-13-23-21(12-19(18)11-17)25-22(28)16-5-7-27(8-6-16)9-10-29-2/h3-4,11-16H,5-10H2,1-2H3,(H,23,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair

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