Compile Data Set for Download or QSAR

Found 320 hits with Last Name = 'ahn' and Initial = 'yg'   

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
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50559204 (CHEMBL4753756) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(N[C@H]3CC[C@@H](CC3)Nc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C |r,wU:43.44,50.60,2.2,26.30,wD:54.57,14.15,7.78,23.23,(29.4,-55.7,;28.95,-57.18,;27.45,-57.52,;27,-58.99,;26.4,-56.39,;26.85,-54.92,;24.9,-56.74,;23.85,-55.61,;22.35,-55.95,;21.83,-57.4,;21.36,-54.78,;21.73,-53.28,;20.42,-52.47,;19.25,-53.46,;19.83,-54.89,;19.01,-56.19,;19.74,-57.55,;17.47,-56.14,;16.66,-57.45,;15.12,-57.4,;14.31,-58.7,;12.77,-58.64,;11.86,-57.4,;10.32,-57.57,;9.41,-56.32,;7.88,-56.49,;7.27,-57.89,;8.17,-59.14,;9.7,-58.98,;5.73,-58.06,;4.82,-56.81,;3.29,-56.94,;2.41,-55.66,;3.08,-54.27,;4.62,-54.15,;5.28,-52.77,;6.81,-52.65,;7.47,-51.26,;6.6,-49.99,;7.68,-53.93,;9.22,-53.81,;9.89,-52.42,;9.02,-51.15,;11.42,-52.31,;12.42,-53.48,;13.84,-52.89,;13.73,-51.35,;12.23,-50.99,;11.64,-49.57,;10.11,-49.36,;12.58,-48.35,;11.99,-46.92,;12.93,-45.7,;14.46,-45.91,;12.34,-44.28,;10.82,-44.08,;13.28,-43.06,;14.81,-43.26,;14.11,-48.55,;14.4,-47.03,;15.57,-48.05,;14.69,-49.97,;7.01,-55.31,;5.48,-55.43,;11.95,-59.94,;12.67,-61.31,;14.21,-61.37,;15.02,-60.06,;16.56,-60.12,;17.39,-58.82,;18.92,-58.87,;19.65,-60.23,;24.3,-54.13,;25.25,-52.91,;25.84,-54.34,;23.25,-53.01,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human XIAP-BIR3 (241 to 356 residues)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127676 BindingDB Entry DOI: 10.7270/Q2NV9NXH
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588041 (9-bromo-6-((4,6-dimethyl-2-oxo-1,2- dihydropyridin...) Show SMILES CN(C)C12CCC(CC1)(CC2)C1(C)Oc2c(O1)c(Br)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588031 (9-chloro-6-((4,6-dimethyl-2-oxo-1,2- dihydropyridi...) Show SMILES CN(C)C12CCC(CC1)(CC2)C1(C)Oc2c(O1)c(Cl)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM546731 ((3-(5-chloro-2-((3-cyclopropyl-5-(((3R, 5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3cn(c4cc(CO)ccc34)S(=O)(=O)c3ccc(C)cc3)cc(c2)C2CC2)C[C@@H](C)N1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476709 (2-((5-chloro-4-(6-methyl-1H-indole-3-yl)pyrimidine...) Show SMILES C[C@H]1CN(Cc2cc(cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)c2O)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-16-4-7-22-23(11-31-25(22)8-16)27-24(30)12-32-29(35-27)34-26-10-20(19-5-6-19)9-21(28(26)37)15-36-13-17(2)33-18(3)14-36/h4,7-12,17-19,31,33,37H,5-6,13-15H2,1-3H3,(H,32,34,35)/t17-,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476709 (2-((5-chloro-4-(6-methyl-1H-indole-3-yl)pyrimidine...) Show SMILES C[C@H]1CN(Cc2cc(cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)c2O)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-16-4-7-22-23(11-31-25(22)8-16)27-24(30)12-32-29(35-27)34-26-10-20(19-5-6-19)9-21(28(26)37)15-36-13-17(2)33-18(3)14-36/h4,7-12,17-19,31,33,37H,5-6,13-15H2,1-3H3,(H,32,34,35)/t17-,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476704 ( (3-(5-chloro-2-((3-cyclopropyl-5-(((3R,5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(CO)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-13-36(14-18(2)33-17)15-20-7-22(21-4-5-21)10-23(8-20)34-29-32-12-26(30)28(35-29)25-11-31-27-9-19(16-37)3-6-24(25)27/h3,6-12,17-18,21,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t17-,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476704 ( (3-(5-chloro-2-((3-cyclopropyl-5-(((3R,5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(CO)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-13-36(14-18(2)33-17)15-20-7-22(21-4-5-21)10-23(8-20)34-29-32-12-26(30)28(35-29)25-11-31-27-9-19(16-37)3-6-24(25)27/h3,6-12,17-18,21,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM546731 ((3-(5-chloro-2-((3-cyclopropyl-5-(((3R, 5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3cn(c4cc(CO)ccc34)S(=O)(=O)c3ccc(C)cc3)cc(c2)C2CC2)C[C@@H](C)N1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588042 (6-((4,6-dimethyl-2-oxo-1,2- dihydropyridin-3-yl)me...) Show SMILES CN(C)C12CCC(CC1)(CC2)C1(C)Oc2c(O1)c(C)c1C(=O)N(Cc3c(C)cc(C)[nH]c3=O)CCc1c2C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM185584 (US9156852, 1 | USRE47451, Example 1) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO., LTD US Patent					Assay Description The compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profiling Servic...				US Patent US9156852 (2015) BindingDB Entry DOI: 10.7270/Q24T6H4D
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM185584 (US9156852, 1 | USRE47451, Example 1) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2XW4N61
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476700 (5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476700 (5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476702 (N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazin...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(F)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33FN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476702 (N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazin...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(F)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33FN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588032 (9-chloro-2-(4- (dimethylamino)bicyclo[2.2.2]octan-...) Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)c3OC(C)(Oc3c(C)c2C1=O)C12CCC(CC1)(CC2)N(C)C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588043 ((R)-6-((4,6-dimethyl-2-oxo-1,2- dihydropyridin-3-y...) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1ccco1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.5,(10.11,2.58,;8.62,2.97,;8.22,4.46,;7.53,1.89,;7.93,.4,;6.84,-.69,;5.35,-.29,;4.96,1.19,;6.04,2.28,;4.26,-1.38,;5.35,-2.47,;3.36,-2.63,;1.9,-2.15,;1.9,-.61,;3.36,-.14,;.56,.16,;.56,1.7,;1.81,2.6,;1.33,4.07,;-.21,4.07,;-.68,2.6,;-.77,-.61,;-2.11,.16,;-3.44,-.61,;-3.44,-2.15,;-4.77,-2.92,;-6.11,-2.15,;-7.44,-2.92,;-7.44,-4.46,;-8.77,-2.15,;-8.77,-.61,;-10.11,.16,;-7.44,.16,;-6.11,-.61,;-4.77,.16,;-2.11,-2.92,;-2.11,-4.46,;-.77,-2.15,;.56,-2.92,;.56,-4.46,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588052 ((2R)-7-chloro-2-[trans-4-(dimethylamino)cyclohexyl...) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:6.6,wD:9.10,3.2,(5.78,-4.8,;4.69,-5.89,;5.09,-7.38,;3.2,-5.49,;2.8,-4.01,;1.32,-3.61,;.23,-4.7,;.63,-6.18,;2.11,-6.58,;-1.26,-4.3,;-2.03,-5.63,;-2.79,-4.14,;-3.11,-2.63,;-1.78,-1.86,;-.63,-2.89,;-1.78,-.32,;-.44,.45,;-3.11,.45,;-4.45,-.32,;-4.45,-1.86,;-5.78,-2.63,;-3.11,1.99,;-4.45,2.76,;-1.78,2.76,;-1.78,4.3,;-.44,5.07,;-.44,6.61,;-1.78,7.38,;.89,7.38,;2.22,6.61,;3.56,7.38,;2.22,5.07,;.89,4.3,;.89,2.76,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE UniChem	US Patent	n/a	n/a	1.36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476695 (5-chloro-4-(6-chloro-1H-indole-3-yl)-N-(3-cyclopro...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(Cl)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C28H30Cl2N6/c1-16-13-36(14-17(2)33-16)15-18-7-20(19-3-4-19)9-22(8-18)34-28-32-12-25(30)27(35-28)24-11-31-26-10-21(29)5-6-23(24)26/h5-12,16-17,19,31,33H,3-4,13-15H2,1-2H3,(H,32,34,35)/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476711 ( ((2R,6R)-4-(3-((5-chloro-4-(6-methyl-1H-indole-3-...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@H](CO)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-3-6-24-25(11-31-27(24)7-17)28-26(30)12-32-29(35-28)34-22-9-19(8-21(10-22)20-4-5-20)14-36-13-18(2)33-23(15-36)16-37/h3,6-12,18,20,23,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t18-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476711 ( ((2R,6R)-4-(3-((5-chloro-4-(6-methyl-1H-indole-3-...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@H](CO)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-3-6-24-25(11-31-27(24)7-17)28-26(30)12-32-29(35-28)34-22-9-19(8-21(10-22)20-4-5-20)14-36-13-18(2)33-23(15-36)16-37/h3,6-12,18,20,23,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t18-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476695 (5-chloro-4-(6-chloro-1H-indole-3-yl)-N-(3-cyclopro...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(Cl)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C28H30Cl2N6/c1-16-13-36(14-17(2)33-16)15-18-7-20(19-3-4-19)9-22(8-18)34-28-32-12-25(30)27(35-28)24-11-31-26-10-21(29)5-6-23(24)26/h5-12,16-17,19,31,33H,3-4,13-15H2,1-2H3,(H,32,34,35)/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476700 (5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476699 ((R)-5-chloro-N-(3-cyclopropyl-5-((3-methylpiperazi...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4ccccc34)cc(c2)C2CC2)CCN1 Show InChI InChI=1S/C27H29ClN6/c1-17-15-34(9-8-29-17)16-18-10-20(19-6-7-19)12-21(11-18)32-27-31-14-24(28)26(33-27)23-13-30-25-5-3-2-4-22(23)25/h2-5,10-14,17,19,29-30H,6-9,15-16H2,1H3,(H,31,32,33)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476699 ((R)-5-chloro-N-(3-cyclopropyl-5-((3-methylpiperazi...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4ccccc34)cc(c2)C2CC2)CCN1 Show InChI InChI=1S/C27H29ClN6/c1-17-15-34(9-8-29-17)16-18-10-20(19-6-7-19)12-21(11-18)32-27-31-14-24(28)26(33-27)23-13-30-25-5-3-2-4-22(23)25/h2-5,10-14,17,19,29-30H,6-9,15-16H2,1H3,(H,31,32,33)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476700 (5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476695 (5-chloro-4-(6-chloro-1H-indole-3-yl)-N-(3-cyclopro...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(Cl)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C28H30Cl2N6/c1-16-13-36(14-17(2)33-16)15-18-7-20(19-3-4-19)9-22(8-18)34-28-32-12-25(30)27(35-28)24-11-31-26-10-21(29)5-6-23(24)26/h5-12,16-17,19,31,33H,3-4,13-15H2,1-2H3,(H,32,34,35)/t16-,17+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476695 (5-chloro-4-(6-chloro-1H-indole-3-yl)-N-(3-cyclopro...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(Cl)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C28H30Cl2N6/c1-16-13-36(14-17(2)33-16)15-18-7-20(19-3-4-19)9-22(8-18)34-28-32-12-25(30)27(35-28)24-11-31-26-10-21(29)5-6-23(24)26/h5-12,16-17,19,31,33H,3-4,13-15H2,1-2H3,(H,32,34,35)/t16-,17+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM185584 (US9156852, 1 | USRE47451, Example 1) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO., LTD US Patent					Assay Description The compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profiling Servic...				US Patent US9156852 (2015) BindingDB Entry DOI: 10.7270/Q24T6H4D
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM185584 (US9156852, 1 | USRE47451, Example 1) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profili...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2XW4N61
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588046 ((R)-6-((4,6-dimethyl-2-oxo-1,2- dihydropyridin-3-y...) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1ccc(C)o1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.37,;8.9,2,;8.74,3.53,;7.65,1.09,;7.81,-.44,;6.57,-1.35,;5.16,-.72,;5,.81,;6.24,1.72,;4.07,-1.81,;5.16,-2.9,;3.16,-3.05,;1.7,-2.58,;1.7,-1.04,;3.16,-.56,;.37,-.27,;.37,1.27,;1.61,2.18,;1.14,3.64,;-.4,3.64,;-1.31,4.89,;-.88,2.18,;-.97,-1.04,;-2.3,-.27,;-3.63,-1.04,;-3.63,-2.58,;-4.97,-3.35,;-6.3,-2.58,;-7.64,-3.35,;-7.64,-4.89,;-8.97,-2.58,;-8.97,-1.04,;-10.3,-.27,;-7.64,-.27,;-6.3,-1.04,;-4.97,-.27,;-2.3,-3.35,;-2.3,-4.89,;-.97,-2.58,;.37,-3.35,;.37,-4.89,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476711 ( ((2R,6R)-4-(3-((5-chloro-4-(6-methyl-1H-indole-3-...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@H](CO)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-3-6-24-25(11-31-27(24)7-17)28-26(30)12-32-29(35-28)34-22-9-19(8-21(10-22)20-4-5-20)14-36-13-18(2)33-23(15-36)16-37/h3,6-12,18,20,23,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t18-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476710 ((R)-5-chloro-N-(3-cyclopropyl-5-((3,3,5-trimethylp...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)CC(C)(C)N1 Show InChI InChI=1S/C30H35ClN6/c1-18-5-8-24-25(13-32-27(24)9-18)28-26(31)14-33-29(35-28)34-23-11-20(10-22(12-23)21-6-7-21)16-37-15-19(2)36-30(3,4)17-37/h5,8-14,19,21,32,36H,6-7,15-17H2,1-4H3,(H,33,34,35)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476711 ( ((2R,6R)-4-(3-((5-chloro-4-(6-methyl-1H-indole-3-...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@H](CO)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-3-6-24-25(11-31-27(24)7-17)28-26(30)12-32-29(35-28)34-22-9-19(8-21(10-22)20-4-5-20)14-36-13-18(2)33-23(15-36)16-37/h3,6-12,18,20,23,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t18-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476710 ((R)-5-chloro-N-(3-cyclopropyl-5-((3,3,5-trimethylp...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)CC(C)(C)N1 Show InChI InChI=1S/C30H35ClN6/c1-18-5-8-24-25(13-32-27(24)9-18)28-26(31)14-33-29(35-28)34-23-11-20(10-22(12-23)21-6-7-21)16-37-15-19(2)36-30(3,4)17-37/h5,8-14,19,21,32,36H,6-7,15-17H2,1-4H3,(H,33,34,35)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476708 (3-(5-chloro-2-((3-cyclopropyl-5-(((3R,5S)-3,5-dime...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4c(O)c(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-16-4-7-23-24(11-31-27(23)28(16)37)26-25(30)12-32-29(35-26)34-22-9-19(8-21(10-22)20-5-6-20)15-36-13-17(2)33-18(3)14-36/h4,7-12,17-18,20,31,33,37H,5-6,13-15H2,1-3H3,(H,32,34,35)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476708 (3-(5-chloro-2-((3-cyclopropyl-5-(((3R,5S)-3,5-dime...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4c(O)c(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-16-4-7-23-24(11-31-27(23)28(16)37)26-25(30)12-32-29(35-26)34-22-9-19(8-21(10-22)20-5-6-20)15-36-13-17(2)33-18(3)14-36/h4,7-12,17-18,20,31,33,37H,5-6,13-15H2,1-3H3,(H,32,34,35)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM172038 (US10155002, Compound 44 | US10647700, Compound EPZ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588044 ((R)-6-((4,6-dimethyl-2-oxo-1,2- dihydropyridin-3-y...) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1cccs1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.5,(10.11,2.58,;8.62,2.97,;8.22,4.46,;7.53,1.89,;7.93,.4,;6.84,-.69,;5.35,-.29,;4.96,1.19,;6.04,2.28,;4.26,-1.38,;5.35,-2.47,;3.36,-2.63,;1.9,-2.15,;1.9,-.61,;3.36,-.14,;.56,.16,;.56,1.7,;1.81,2.6,;1.33,4.07,;-.21,4.07,;-.68,2.6,;-.77,-.61,;-2.11,.16,;-3.44,-.61,;-3.44,-2.15,;-4.77,-2.92,;-6.11,-2.15,;-7.44,-2.92,;-7.44,-4.46,;-8.77,-2.15,;-8.77,-.61,;-10.11,.16,;-7.44,.16,;-6.11,-.61,;-4.77,.16,;-2.11,-2.92,;-2.11,-4.46,;-.77,-2.15,;.56,-2.92,;.56,-4.46,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476702 (N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazin...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(F)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33FN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476702 (N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazin...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(F)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33FN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588050 ((R)-6-((4,6-dimethyl-2-oxo-1,2- dihydropyridin-3-y...) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1cncs1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.99,;8.9,2.62,;8.74,4.15,;7.65,1.71,;7.81,.18,;6.57,-.72,;5.16,-.1,;5,1.44,;6.24,2.34,;4.07,-1.18,;5.16,-2.27,;3.16,-2.43,;1.7,-1.95,;1.7,-.41,;3.16,.06,;.37,.36,;.37,1.9,;1.61,2.8,;1.14,4.26,;-.4,4.26,;-.88,2.8,;-.97,-.41,;-2.3,.36,;-3.63,-.41,;-3.63,-1.95,;-4.97,-2.72,;-6.3,-1.95,;-7.64,-2.72,;-7.64,-4.26,;-8.97,-1.95,;-8.97,-.41,;-10.3,.36,;-7.64,.36,;-6.3,-.41,;-4.97,.36,;-2.3,-2.72,;-2.3,-4.26,;-.97,-1.95,;.37,-2.72,;.37,-4.26,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340D,Y341D] (Homo sapiens (Human))	BDBM238347 (US9388165, 3) Show SMILES Cc1ccc(cc1NC(=O)c1cccc2c(N)nccc12)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H19F3N4O2/c1-14-8-9-15(23(33)31-17-5-2-4-16(13-17)25(26,27)28)12-21(14)32-24(34)20-7-3-6-19-18(20)10-11-30-22(19)29/h2-13H,1H3,(H2,29,30)(H,31,33)(H,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO., LTD. US Patent					Assay Description The compounds prepared in Examples were tested for inhibitory activities against three subtypes of RAF, i.e. RAF1 Y340D Y341D, BRAF normal type and B...				US Patent US9388165 (2016) BindingDB Entry DOI: 10.7270/Q2F76BF9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588048 ((R)-6-((4,6-dimethyl-2-oxo-1,2- dihydropyridin-3-y...) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1cccn1C)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.99,;8.9,2.62,;8.74,4.15,;7.65,1.71,;7.81,.18,;6.57,-.72,;5.16,-.1,;5,1.44,;6.24,2.34,;4.07,-1.18,;5.16,-2.27,;3.16,-2.43,;1.7,-1.95,;1.7,-.41,;3.16,.06,;.37,.36,;.37,1.9,;1.61,2.8,;1.14,4.26,;-.4,4.26,;-.88,2.8,;-2.34,2.32,;-.97,-.41,;-2.3,.36,;-3.63,-.41,;-3.63,-1.95,;-4.97,-2.72,;-6.3,-1.95,;-7.64,-2.72,;-7.64,-4.26,;-8.97,-1.95,;-8.97,-.41,;-10.3,.36,;-7.64,.36,;-6.3,-.41,;-4.97,.36,;-2.3,-2.72,;-2.3,-4.26,;-.97,-1.95,;.37,-2.72,;.37,-4.26,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588047 ((R)-6-((4,6-dimethyl-2-oxo-1,2- dihydropyridin-3-y...) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1cccnc1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.64,;8.9,2.26,;8.74,3.8,;7.65,1.36,;7.81,-.17,;6.57,-1.08,;5.16,-.45,;5,1.08,;6.24,1.99,;4.07,-1.54,;5.16,-2.63,;3.16,-2.79,;1.7,-2.31,;1.7,-.77,;3.16,-.29,;.37,,;.37,1.54,;-.97,2.31,;-.97,3.85,;.37,4.62,;1.7,3.85,;1.7,2.31,;-.97,-.77,;-2.3,,;-3.63,-.77,;-3.63,-2.31,;-4.97,-3.08,;-6.3,-2.31,;-7.64,-3.08,;-7.64,-4.62,;-8.97,-2.31,;-8.97,-.77,;-10.3,,;-7.64,,;-6.3,-.77,;-4.97,,;-2.3,-3.08,;-2.3,-4.62,;-.97,-2.31,;.37,-3.08,;.37,-4.62,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM588045 ((R)-6-((4,6-dimethyl-2-oxo-1,2- dihydropyridin-3-y...) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1ccncc1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.64,;8.9,2.26,;8.74,3.8,;7.65,1.36,;7.81,-.17,;6.57,-1.08,;5.16,-.45,;5,1.08,;6.24,1.99,;4.07,-1.54,;5.16,-2.63,;3.16,-2.79,;1.7,-2.31,;1.7,-.77,;3.16,-.29,;.37,,;.37,1.54,;1.7,2.31,;1.7,3.85,;.37,4.62,;-.97,3.85,;-.97,2.31,;-.97,-.77,;-2.3,,;-3.63,-.77,;-3.63,-2.31,;-4.97,-3.08,;-6.3,-2.31,;-7.64,-3.08,;-7.64,-4.62,;-8.97,-2.31,;-8.97,-.77,;-10.3,,;-7.64,,;-6.3,-.77,;-4.97,,;-2.3,-3.08,;-2.3,-4.62,;-.97,-2.31,;.37,-3.08,;.37,-4.62,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Rea...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q7J
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476701 (US10870639, Example 10 | US11292786, Example 10 | ...) Show SMILES CC1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)CC(C)N1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476701 (US10870639, Example 10 | US11292786, Example 10 | ...) Show SMILES CC1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)CC(C)N1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476697 (2-((2R,6S)-4-(3-((5-chloro-4-(1H-indole-3-yl)pyrim...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4ccccc34)cc(c2)C2CC2)C[C@@H](C)N1CCO Show InChI InChI=1S/C30H35ClN6O/c1-19-16-36(17-20(2)37(19)9-10-38)18-21-11-23(22-7-8-22)13-24(12-21)34-30-33-15-27(31)29(35-30)26-14-32-28-6-4-3-5-25(26)28/h3-6,11-15,19-20,22,32,38H,7-10,16-18H2,1-2H3,(H,33,34,35)/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair

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