Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50001876   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449547 (CHEMBL4163870) Show SMILES Cc1nc2CCCc2c(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C22H26N8O/c1-14-25-18-4-2-3-17(18)21(26-14)28-19-13-24-29-20(19)22(31)27-15-5-7-16(8-6-15)30-11-9-23-10-12-30/h5-8,13,23H,2-4,9-12H2,1H3,(H,24,29)(H,27,31)(H,25,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449554 (CHEMBL4172223) Show SMILES Clc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)c2ccsc2n1 Show InChI InChI=1S/C20H19ClN8OS/c21-20-26-17(14-5-10-31-19(14)27-20)25-15-11-23-28-16(15)18(30)24-12-1-3-13(4-2-12)29-8-6-22-7-9-29/h1-5,10-11,22H,6-9H2,(H,23,28)(H,24,30)(H,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 D835Y mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449553 (CHEMBL4164331) Show SMILES Cc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)c2ccsc2n1 Show InChI InChI=1S/C21H22N8OS/c1-13-24-19(16-6-11-31-21(16)25-13)27-17-12-23-28-18(17)20(30)26-14-2-4-15(5-3-14)29-9-7-22-8-10-29/h2-6,11-12,22H,7-10H2,1H3,(H,23,28)(H,26,30)(H,24,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449548 (CHEMBL4175865) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3nc(C)nc4sccc34)cc2)CC1 Show InChI InChI=1S/C23H26N8OS/c1-15-25-21(18-7-12-33-23(18)26-15)28-19-13-24-29-20(19)22(32)27-17-5-3-16(4-6-17)14-31-10-8-30(2)9-11-31/h3-7,12-13H,8-11,14H2,1-2H3,(H,24,29)(H,27,32)(H,25,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449551 (CHEMBL4171138) Show SMILES CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCOCC4)cc3)nc(C)nc2s1 Show InChI InChI=1S/C25H29N7O2S/c1-15(2)21-12-19-23(27-16(3)28-25(19)35-21)30-20-13-26-31-22(20)24(33)29-18-6-4-17(5-7-18)14-32-8-10-34-11-9-32/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,31)(H,29,33)(H,27,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449559 (CHEMBL4159478) Show SMILES Cc1nc2CCCCc2c(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C23H28N8O/c1-15-26-19-5-3-2-4-18(19)22(27-15)29-20-14-25-30-21(20)23(32)28-16-6-8-17(9-7-16)31-12-10-24-11-13-31/h6-9,14,24H,2-5,10-13H2,1H3,(H,25,30)(H,28,32)(H,26,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 D835Y mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449544 (CHEMBL4160544) Show SMILES CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)nc(C)nc2s1 Show InChI InChI=1S/C26H32N8OS/c1-16(2)22-13-20-24(28-17(3)29-26(20)36-22)31-21-14-27-32-23(21)25(35)30-19-7-5-18(6-8-19)15-34-11-9-33(4)10-12-34/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,32)(H,30,35)(H,28,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 R595_E596 mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449546 (CHEMBL4160930) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2n[nH]cc2Nc2nc(C)nc3sccc23)cc1 Show InChI InChI=1S/C22H24N8OS/c1-14-24-20(17-7-12-32-22(17)25-14)27-18-13-23-28-19(18)21(31)26-15-3-5-16(6-4-15)30-10-8-29(2)9-11-30/h3-7,12-13H,8-11H2,1-2H3,(H,23,28)(H,26,31)(H,24,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 F594_R595insR mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 F594_R595insR mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human KDR by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449547 (CHEMBL4163870) Show SMILES Cc1nc2CCCc2c(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C22H26N8O/c1-14-25-18-4-2-3-17(18)21(26-14)28-19-13-24-29-20(19)22(31)27-15-5-7-16(8-6-15)30-11-9-23-10-12-30/h5-8,13,23H,2-4,9-12H2,1H3,(H,24,29)(H,27,31)(H,25,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 D835Y mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 ITD-W51 mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 ITD-W51 mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 F594_R595insREY mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449555 (CHEMBL4172658) Show SMILES O=C(Nc1ccc(cc1)N1CCNCC1)c1n[nH]cc1Nc1nc(nc2sccc12)C1CC1 Show InChI InChI=1S/C23H24N8OS/c32-22(26-15-3-5-16(6-4-15)31-10-8-24-9-11-31)19-18(13-25-30-19)27-21-17-7-12-33-23(17)29-20(28-21)14-1-2-14/h3-7,12-14,24H,1-2,8-11H2,(H,25,30)(H,26,32)(H,27,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 R595_E596 mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT4 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CDK6 (unknown origin) by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449556 (CHEMBL4162003) Show SMILES CCc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)c2ccsc2n1 Show InChI InChI=1S/C22H24N8OS/c1-2-18-27-20(16-7-12-32-22(16)28-18)26-17-13-24-29-19(17)21(31)25-14-3-5-15(6-4-14)30-10-8-23-9-11-30/h3-7,12-13,23H,2,8-11H2,1H3,(H,24,29)(H,25,31)(H,26,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449549 (CHEMBL4168002) Show SMILES Cc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(CN3CCOCC3)cc2)c2ccsc2n1 Show InChI InChI=1S/C22H23N7O2S/c1-14-24-20(17-6-11-32-22(17)25-14)27-18-12-23-28-19(18)21(30)26-16-4-2-15(3-5-16)13-29-7-9-31-10-8-29/h2-6,11-12H,7-10,13H2,1H3,(H,23,28)(H,26,30)(H,24,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449552 (CHEMBL4168869) Show SMILES Cc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCOCC2)c2ccsc2n1 Show InChI InChI=1S/C21H21N7O2S/c1-13-23-19(16-6-11-31-21(16)24-13)26-17-12-22-27-18(17)20(29)25-14-2-4-15(5-3-14)28-7-9-30-10-8-28/h2-6,11-12H,7-10H2,1H3,(H,22,27)(H,25,29)(H,23,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT4 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 Y591-V592 mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 ITD-NPOS mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449547 (CHEMBL4163870) Show SMILES Cc1nc2CCCc2c(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C22H26N8O/c1-14-25-18-4-2-3-17(18)21(26-14)28-19-13-24-29-20(19)22(31)27-15-5-7-16(8-6-15)30-11-9-23-10-12-30/h5-8,13,23H,2-4,9-12H2,1H3,(H,24,29)(H,27,31)(H,25,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 F594_R595insR mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 F594_R595insREY mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449547 (CHEMBL4163870) Show SMILES Cc1nc2CCCc2c(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C22H26N8O/c1-14-25-18-4-2-3-17(18)21(26-14)28-19-13-24-29-20(19)22(31)27-15-5-7-16(8-6-15)30-11-9-23-10-12-30/h5-8,13,23H,2-4,9-12H2,1H3,(H,24,29)(H,27,31)(H,25,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 R595_E596 mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin) by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449547 (CHEMBL4163870) Show SMILES Cc1nc2CCCc2c(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C22H26N8O/c1-14-25-18-4-2-3-17(18)21(26-14)28-19-13-24-29-20(19)22(31)27-15-5-7-16(8-6-15)30-11-9-23-10-12-30/h5-8,13,23H,2-4,9-12H2,1H3,(H,24,29)(H,27,31)(H,25,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 F594_R595insREY mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 15 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human ERK7 at 0.123 uM by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human CDK6/Cyclin-D1 at 0.123 uM by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human CDK4/Cyclin-D1 at 0.123 uM by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human CDK2/Cyclin-A at 0.123 uM by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449557 (CHEMBL4167321) Show SMILES CC(C)c1nc(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)c2ccsc2n1 Show InChI InChI=1S/C23H26N8OS/c1-14(2)20-28-21(17-7-12-33-23(17)29-20)27-18-13-25-30-19(18)22(32)26-15-3-5-16(6-4-15)31-10-8-24-9-11-31/h3-7,12-14,24H,8-11H2,1-2H3,(H,25,30)(H,26,32)(H,27,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449547 (CHEMBL4163870) Show SMILES Cc1nc2CCCc2c(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C22H26N8O/c1-14-25-18-4-2-3-17(18)21(26-14)28-19-13-24-29-20(19)22(31)27-15-5-7-16(8-6-15)30-11-9-23-10-12-30/h5-8,13,23H,2-4,9-12H2,1H3,(H,24,29)(H,27,31)(H,25,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 ITD-W51 mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 Y591-V592 mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449547 (CHEMBL4163870) Show SMILES Cc1nc2CCCc2c(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C22H26N8O/c1-14-25-18-4-2-3-17(18)21(26-14)28-19-13-24-29-20(19)22(31)27-15-5-7-16(8-6-15)30-11-9-23-10-12-30/h5-8,13,23H,2-4,9-12H2,1H3,(H,24,29)(H,27,31)(H,25,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 Y591-V592 mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449547 (CHEMBL4163870) Show SMILES Cc1nc2CCCc2c(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C22H26N8O/c1-14-25-18-4-2-3-17(18)21(26-14)28-19-13-24-29-20(19)22(31)27-15-5-7-16(8-6-15)30-11-9-23-10-12-30/h5-8,13,23H,2-4,9-12H2,1H3,(H,24,29)(H,27,31)(H,25,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 ITD-NPOS mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT1 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449545 (CHEMBL4167778) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3nc(nc4sccc34)C3CC3)cc2)CC1 Show InChI InChI=1S/C25H28N8OS/c1-32-9-11-33(12-10-32)15-16-2-6-18(7-3-16)27-24(34)21-20(14-26-31-21)28-23-19-8-13-35-25(19)30-22(29-23)17-4-5-17/h2-3,6-8,13-14,17H,4-5,9-12,15H2,1H3,(H,26,31)(H,27,34)(H,28,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449550 (CHEMBL4175644) Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]cc1Nc1nc(nc2sccc12)C1CC1 Show InChI InChI=1S/C24H25N7O2S/c32-23(26-17-5-1-15(2-6-17)14-31-8-10-33-11-9-31)20-19(13-25-30-20)27-22-18-7-12-34-24(18)29-21(28-22)16-3-4-16/h1-2,5-7,12-13,16H,3-4,8-11,14H2,(H,25,30)(H,26,32)(H,27,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 ITD-NPOS mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50449544 (CHEMBL4160544) Show SMILES CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)nc(C)nc2s1 Show InChI InChI=1S/C26H32N8OS/c1-16(2)22-13-20-24(28-17(3)29-26(20)36-22)31-21-14-27-32-23(21)25(35)30-19-7-5-18(6-8-19)15-34-11-9-33(4)10-12-34/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,32)(H,30,35)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CDK6 (unknown origin) by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT1 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair

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