Compile Data Set for Download or QSAR

Found 213 hits with Last Name = 'weng' and Initial = 'y'   

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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343759 (1-ethyl-3-(4-(6-(2-hydroxypropan-2-yl)-4-morpholin...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2sc(cc2n1)C(C)(C)O Show InChI InChI=1S/C22H27N5O3S/c1-4-23-21(28)24-15-7-5-14(6-8-15)19-25-16-13-17(22(2,3)29)31-18(16)20(26-19)27-9-11-30-12-10-27/h5-8,13,29H,4,9-12H2,1-3H3,(H2,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human N-terminal FLAG-tagged mTOR (1362-end residues) in presence of [gamma33P]ATP after 40 mins				Eur J Med Chem 129: 135-150 (2017) Article DOI: 10.1016/j.ejmech.2017.02.015 BindingDB Entry DOI: 10.7270/Q2QN692K
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed noncompetitive inhibition of recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00944 BindingDB Entry DOI: 10.7270/Q2QC074M
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438750 (CHEMBL2414884) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C20H26F6N2O5/c21-19(22,23)12-5-11(6-13(8-12)20(24,25)26)7-16(31)27-3-1-2-4-28-9-15(30)18(33)17(32)14(28)10-29/h5-6,8,14-15,17-18,29-30,32-33H,1-4,7,9-10H2,(H,27,31)/t14-,15+,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50341385 (CHEMBL4161567) Show SMILES Cc1[nH]c2c(N3CCC4(CCNC4=O)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F Show InChI InChI=1S/C18H17ClF3N5O/c1-9-11(19)12-13(25-9)14(10(8-23)15(26-12)18(20,21)22)27-6-3-17(4-7-27)2-5-24-16(17)28/h25H,2-7H2,1H3,(H,24,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50327358 (CHEMBL4168403) Show SMILES Cc1[nH]c2c(N3CCC(N)(CC3)C(N)=O)c(C#N)c(nc2c1Cl)C(F)(F)F Show InChI InChI=1S/C16H16ClF3N6O/c1-7-9(17)10-11(24-7)12(8(6-21)13(25-10)16(18,19)20)26-4-2-15(23,3-5-26)14(22)27/h24H,2-5,23H2,1H3,(H2,22,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438752 (CHEMBL2414882) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H38N2O5/c34-22-26-29(37)30(38)27(35)21-33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27+,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438754 (CHEMBL2414880) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C25H32N2O5/c28-15-21-24(31)25(32)22(29)14-27(21)12-6-5-11-26-23(30)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24-25,28-29,31-32H,5-6,11-15H2,(H,26,30)/t21-,22+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50327363 (CHEMBL4176684) Show SMILES Cc1[nH]c2c(N3CCC(O)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F Show InChI InChI=1S/C25H27N3O/c1-20-9-7-10-21(19-20)13-14-24-25(27-23-12-4-3-11-22(23)26-24)29-18-8-17-28-15-5-2-6-16-28/h3-4,7,9-12,19H,2,5-6,8,15-18H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50327360 (CHEMBL4168827) Show SMILES CN1CCC2(CCN(CC2)c2c(C#N)c(nc3c(Cl)c(C)[nH]c23)C(F)(F)F)C1=O Show InChI InChI=1S/C27H36N6O2/c1-27(2,3)19-8-10-20(11-9-19)29-26(34)30-21-12-13-22-23(18-21)31-24(25(32-22)35-4)28-14-17-33-15-6-5-7-16-33/h8-13,18H,5-7,14-17H2,1-4H3,(H,28,31)(H2,29,30,34)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50327362 (CHEMBL4159390) Show SMILES OCC(O)CSCc1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(=O)N\N=C\c1cccc(F)c1 Show InChI InChI=1S/C23H23N3O/c1-18-8-10-19(11-9-18)12-13-22-23(27-17-16-26-14-4-5-15-26)25-21-7-3-2-6-20(21)24-22/h2-3,6-11H,4-5,14-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50341383 (CHEMBL4175607) Show SMILES Cc1[nH]c2c(N3CCO[C@H](CO)C3)c(C#N)c(nc2c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438753 (CHEMBL2414881) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)C1CCc2ccccc2C1 |r| Show InChI InChI=1S/C21H32N2O5/c24-13-17-19(26)20(27)18(25)12-23(17)10-4-3-9-22-21(28)16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-6,16-20,24-27H,3-4,7-13H2,(H,22,28)/t16?,17-,18+,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438748 (CHEMBL2414879) Show SMILES COc1ccc2CCC(CC(=O)NCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)c2c1 |r| Show InChI InChI=1S/C22H34N2O6/c1-30-16-7-6-14-4-5-15(17(14)11-16)10-20(27)23-8-2-3-9-24-12-19(26)22(29)21(28)18(24)13-25/h6-7,11,15,18-19,21-22,25-26,28-29H,2-5,8-10,12-13H2,1H3,(H,23,27)/t15?,18-,19+,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Non-competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18358 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...) Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50327357 (CHEMBL4164986) Show SMILES Cc1[nH]c2c(N3CCO[C@@H](CO)C3)c(C#N)c(nc2c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50327355 (CHEMBL4164691) Show SMILES Cc1cc2nc(c(C#N)c(N3CCC4(CCNC4=O)CC3)c2[nH]1)C(F)(F)F Show InChI InChI=1S/C18H18F3N5O/c1-10-8-12-13(24-10)14(11(9-22)15(25-12)18(19,20)21)26-6-3-17(4-7-26)2-5-23-16(17)27/h8,24H,2-7H2,1H3,(H,23,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50327359 (CHEMBL4160507) Show SMILES Cc1[nH]c2c(N3CCC(N)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F Show InChI InChI=1S/C15H15ClF3N5/c1-7-10(16)11-12(22-7)13(24-4-2-8(21)3-5-24)9(6-20)14(23-11)15(17,18)19/h8,22H,2-5,21H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438751 (CHEMBL2414883) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)COc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H26Cl2N2O6/c19-12-4-3-11(7-13(12)20)28-10-16(25)21-5-1-2-6-22-8-15(24)18(27)17(26)14(22)9-23/h3-4,7,14-15,17-18,23-24,26-27H,1-2,5-6,8-10H2,(H,21,25)/t14-,15+,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438749 (CHEMBL2414888) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H38N2O5/c34-21-26-29(37)30(38)27(22-35)33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27-,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50327361 (CHEMBL4172179) Show SMILES FC(F)(F)c1nc2cc[nH]c2c(N2CCC3(CCNC3=O)CC2)c1C#N Show InChI InChI=1S/C20H19N3O/c1-23(2)14-15-24-20-19(13-12-16-8-4-3-5-9-16)21-17-10-6-7-11-18(17)22-20/h3-11H,14-15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50327356 (CHEMBL4172584) Show SMILES Cc1cc2nc(c(C#N)c(N3CCC(CC3)Nc3ccccn3)c2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H19F3N6/c1-12-10-15-17(26-12)18(14(11-24)19(28-15)20(21,22)23)29-8-5-13(6-9-29)27-16-4-2-3-7-25-16/h2-4,7,10,13,26H,5-6,8-9H2,1H3,(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A (Homo sapiens)	BDBM50341384 (CHEMBL4170023) Show SMILES COc1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c(c1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClF3N2O4S/c1-31-16-9-10-19(18(12-16)20(28)26-15-7-5-14(22)6-8-15)27-32(29,30)17-4-2-3-13(11-17)21(23,24)25/h2-12,27H,1H3,(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...				ACS Med Chem Lett 9: 440-445 (2018) Article DOI: 10.1021/acsmedchemlett.8b00013 BindingDB Entry DOI: 10.7270/Q26T0Q7K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type FLT3 (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 phosphorylation at 0.1 to 1000 nM after 1 hr by...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type FLT3 ITD mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 ITD phosphorylation at 0.1 to 1000 n...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type FLT3 D835Y mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 D835Y phosphorylation at 0.1 to 10...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM26198 (4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....) Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of protein kinase Jak 2				Bioorg Med Chem Lett 12: 1219-23 (2002) BindingDB Entry DOI: 10.7270/Q2JW8D67
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM26198 (4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....) Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Tyrosine kinase 2 kinase				Bioorg Med Chem Lett 12: 1219-23 (2002) BindingDB Entry DOI: 10.7270/Q2JW8D67
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ketohexokinase (Homo sapiens (Human))	BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C18H19F3N4O3/c1-8-14(26)7-25(8)17-10(4-22)13(18(19,20)21)3-15(23-17)24-5-11-9(2-16(27)28)12(11)6-24/h3,8-9,11-12,14,26H,2,5-7H2,1H3,(H,27,28)/t8-,9-,11-,12+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 1 nM recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate preincubated for...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00944 BindingDB Entry DOI: 10.7270/Q2QC074M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human C-src using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50348452 (AZD-8055 | CHEMBL1801204 | US9102670, 1a) Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human N-terminal FLAG-tagged mTOR (1362-end residues) in presence of [gamma33P]ATP after 40 mins				Eur J Med Chem 129: 135-150 (2017) Article DOI: 10.1016/j.ejmech.2017.02.015 BindingDB Entry DOI: 10.7270/Q2QN692K
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human TRKA using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM26198 (4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....) Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of protein kinase Jak 3				Bioorg Med Chem Lett 12: 1219-23 (2002) BindingDB Entry DOI: 10.7270/Q2JW8D67
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C18H19F3N4O3/c1-8-14(26)7-25(8)17-10(4-22)13(18(19,20)21)3-15(23-17)24-5-11-9(2-16(27)28)12(11)6-24/h3,8-9,11-12,14,26H,2,5-7H2,1H3,(H,27,28)/t8-,9-,11-,12+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 10 nM recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00944 BindingDB Entry DOI: 10.7270/Q2QC074M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM35615 (pyrazolo pyrimidine, 5u) Show SMILES C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1)c1cccnc1 Show InChI InChI=1S/C28H30N8O/c1-2-20(17-29-8-1)19-34-10-6-23(7-11-34)36-28-24(18-31-36)27(35-12-14-37-15-13-35)32-26(33-28)22-3-4-25-21(16-22)5-9-30-25/h1-5,8-9,16-18,23,30H,6-7,10-15,19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin)				Eur J Med Chem 129: 135-150 (2017) Article DOI: 10.1016/j.ejmech.2017.02.015 BindingDB Entry DOI: 10.7270/Q2QN692K
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 1 nM recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate preincubated for...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00944 BindingDB Entry DOI: 10.7270/Q2QC074M
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM50380246 (CHEMBL2017214) Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 Show InChI InChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of KHK (unknown origin) using D-fructose as substrate after 60 mins in presence of ATP by LC-MS analysis				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ketohexokinase (Homo sapiens (Human))	BDBM319586 (US10174007, Example 5 | US10787438, Example 5 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O3/c1-7-11(24)6-23(7)15-20-12(16(17,18)19)3-13(21-15)22-4-9-8(2-14(25)26)10(9)5-22/h3,7-11,24H,2,4-6H2,1H3,(H,25,26)/t7-,8-,9-,10+,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 1 nM recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate preincubated for...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00944 BindingDB Entry DOI: 10.7270/Q2QC074M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Mus musculus)	BDBM26198 (4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....) Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of murine Jak 1 protein kinase				Bioorg Med Chem Lett 12: 1219-23 (2002) BindingDB Entry DOI: 10.7270/Q2JW8D67
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519727 (CHEMBL4448198) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)ncn1 Show InChI InChI=1S/C18H21N7S/c1-2-24-7-9-25(10-8-24)17-11-16(21-13-22-17)23-18-20-12-15(26-18)14-3-5-19-6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,20,21,22,23)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519722 (CHEMBL4475875) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccccn2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-6-4-5-7-20-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50519732 (CHEMBL4483070) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccccc2)nc(C)n1 Show InChI InChI=1S/C20H24N6S/c1-3-25-9-11-26(12-10-25)19-13-18(22-15(2)23-19)24-20-21-14-17(27-20)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) (unknown origin) expressed in baculovir...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using 8 mM fructose as substrate preincubated for...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00944 BindingDB Entry DOI: 10.7270/Q2QC074M
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50519727 (CHEMBL4448198) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)ncn1 Show InChI InChI=1S/C18H21N7S/c1-2-24-7-9-25(10-8-24)17-11-16(21-13-22-17)23-18-20-12-15(26-18)14-3-5-19-6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) (unknown origin) expressed in baculovir...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC1R)				Eur J Med Chem 129: 135-150 (2017) Article DOI: 10.1016/j.ejmech.2017.02.015 BindingDB Entry DOI: 10.7270/Q2QN692K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519729 (CHEMBL4438245) Show SMILES Cl.CN(C)C1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C20H25N7S/c1-14-23-18(12-19(24-14)27-10-6-16(7-11-27)26(2)3)25-20-22-13-17(28-20)15-4-8-21-9-5-15/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3,(H,22,23,24,25)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519724 (CHEMBL4521178) Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(OCCN2CCOCC2)n1 Show InChI InChI=1S/C19H22N6O2S/c1-14-22-17(12-18(23-14)27-11-8-25-6-9-26-10-7-25)24-19-21-13-16(28-19)15-2-4-20-5-3-15/h2-5,12-13H,6-11H2,1H3,(H,21,22,23,24)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519733 (CHEMBL4446778) Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(n1)N1CCN(CCF)CC1 Show InChI InChI=1S/C19H22FN7S/c1-14-23-17(12-18(24-14)27-10-8-26(7-4-20)9-11-27)25-19-22-13-16(28-19)15-2-5-21-6-3-15/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,22,23,24,25)	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	37	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50095991 (CHEMBL3593290) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1 Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 213 total )  |  Next  |  Last  >>

Jump to: