Compile Data Set for Download or QSAR

Found 168 hits with Last Name = 'ye' and Initial = 'dy'   

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
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50322535 (3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)	PDB MMDB 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	DrugBank PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human FGFR1				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50065454 (CHEBI:63453 | CHEMBL3348846) Show SMILES COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n[nH]2)cc(OC)c1 Show InChI InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 135: 370-381 (2017) Article DOI: 10.1016/j.ejmech.2017.04.039 BindingDB Entry DOI: 10.7270/Q27P91W5
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 135: 370-381 (2017) Article DOI: 10.1016/j.ejmech.2017.04.039 BindingDB Entry DOI: 10.7270/Q27P91W5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50322535 (3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)	PDB MMDB 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	DrugBank Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human KDR				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50322535 (3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)	PDB MMDB 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	DrugBank Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate at after 1 hr by ELISA				Eur J Med Chem 135: 370-381 (2017) Article DOI: 10.1016/j.ejmech.2017.04.039 BindingDB Entry DOI: 10.7270/Q27P91W5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins Curated by ChEMBL					Assay Description Inhibition of Ret (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 135: 370-381 (2017) Article DOI: 10.1016/j.ejmech.2017.04.039 BindingDB Entry DOI: 10.7270/Q27P91W5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins Curated by ChEMBL					Assay Description Inhibition of AXL (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 135: 370-381 (2017) Article DOI: 10.1016/j.ejmech.2017.04.039 BindingDB Entry DOI: 10.7270/Q27P91W5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267625 (CHEMBL4077172) Show SMILES O\C=c1/c2ccccc2[nH]/c/1=C1\C(=O)Cc2cc(Br)ccc12 Show InChI InChI=1S/C18H12BrNO2/c19-11-5-6-12-10(7-11)8-16(22)17(12)18-14(9-21)13-3-1-2-4-15(13)20-18/h1-7,9,20-21H,8H2/b14-9+,18-17-	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin)				Eur J Med Chem 135: 370-381 (2017) Article DOI: 10.1016/j.ejmech.2017.04.039 BindingDB Entry DOI: 10.7270/Q27P91W5
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 135: 370-381 (2017) Article DOI: 10.1016/j.ejmech.2017.04.039 BindingDB Entry DOI: 10.7270/Q27P91W5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267626 (AZ-11548415 | AZD-1080) Show SMILES Oc1[nH]c2ccc(cc2c1-c1ccc(CN2CCOCC2)cn1)C#N Show InChI InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin)				Eur J Med Chem 135: 370-381 (2017) Article DOI: 10.1016/j.ejmech.2017.04.039 BindingDB Entry DOI: 10.7270/Q27P91W5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using 650HSSPHQ(pS)EDEEE as substrate after 30 mins by luminescence assay				Eur J Med Chem 61: 95-103 (2013) Article DOI: 10.1016/j.ejmech.2012.09.021 BindingDB Entry DOI: 10.7270/Q24J0GF0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7781 (4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...) Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of GSK3beta by kinase-glo assay method				Bioorg Med Chem Lett 22: 7232-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.043 BindingDB Entry DOI: 10.7270/Q2KD2034
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50254217 (CHEMBL4092416) Show SMILES Cc1ccccc1COc1ccccc1-c1nc2cccnc2o1 Show InChI InChI=1S/C20H16N2O2/c1-14-7-2-3-8-15(14)13-23-18-11-5-4-9-16(18)19-22-17-10-6-12-21-20(17)24-19/h2-12H,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50117841 (CHEMBL3613983) Show SMILES Brc1ccc(CNC(=O)COc2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C23H23BrN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50254231 (CHEMBL4084661) Show SMILES Fc1cccc(COc2ccccc2-c2nc3cccnc3o2)c1 Show InChI InChI=1S/C19H13FN2O2/c20-14-6-3-5-13(11-14)12-23-17-9-2-1-7-15(17)18-22-16-8-4-10-21-19(16)24-18/h1-11H,12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50254224 (CHEMBL4100851) Show SMILES Cc1c(F)cccc1COc1ccccc1-c1nc2cccnc2o1 Show InChI InChI=1S/C20H15FN2O2/c1-13-14(6-4-8-16(13)21)12-24-18-10-3-2-7-15(18)19-23-17-9-5-11-22-20(17)25-19/h2-11H,12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50254232 (CHEMBL4076807) Show SMILES COc1cccc(COc2ccccc2-c2nc3cccnc3o2)c1 Show InChI InChI=1S/C20H16N2O3/c1-23-15-7-4-6-14(12-15)13-24-18-10-3-2-8-16(18)19-22-17-9-5-11-21-20(17)25-19/h2-12H,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50254233 (CHEMBL4077085) Show SMILES Clc1cccc(COc2ccccc2-c2nc3cccnc3o2)c1 Show InChI InChI=1S/C19H13ClN2O2/c20-14-6-3-5-13(11-14)12-23-17-9-2-1-7-15(17)18-22-16-8-4-10-21-19(16)24-18/h1-11H,12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50254229 (CHEMBL4092156) Show SMILES Cc1cccc(C)c1COc1ccccc1-c1nc2cccnc2o1 Show InChI InChI=1S/C21H18N2O2/c1-14-7-5-8-15(2)17(14)13-24-19-11-4-3-9-16(19)20-23-18-10-6-12-22-21(18)25-20/h3-12H,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50401965 (PALINURIN) Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r| Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1	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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Non-ATP competitive inhibition of GSK3beta				Bioorg Med Chem Lett 22: 7232-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.043 BindingDB Entry DOI: 10.7270/Q2KD2034
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50401965 (PALINURIN) Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r| Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1	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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin)				Eur J Med Chem 61: 95-103 (2013) Article DOI: 10.1016/j.ejmech.2012.09.021 BindingDB Entry DOI: 10.7270/Q24J0GF0
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50254223 (CHEMBL4077313) Show SMILES CCc1ccccc1COc1ccccc1-c1nc2cccnc2o1 Show InChI InChI=1S/C21H18N2O2/c1-2-15-8-3-4-9-16(15)14-24-19-12-6-5-10-17(19)20-23-18-11-7-13-22-21(18)25-20/h3-13H,2,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50117832 (CHEMBL3613975) Show SMILES Clc1ccc(CNC(=O)COc2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C23H23ClN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50117840 (CHEMBL3612087) Show SMILES COc1ccc(CNC(=O)COc2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C24H26N2O5S/c1-30-21-9-7-20(8-10-21)17-25-24(27)18-31-22-11-13-23(14-12-22)32(28,29)26-16-15-19-5-3-2-4-6-19/h2-14,26H,15-18H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50117845 (CHEMBL3613987) Show SMILES Clc1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C22H21ClN2O4S/c23-18-6-8-19(9-7-18)25-22(26)16-29-20-10-12-21(13-11-20)30(27,28)24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50117842 (CHEMBL3613984) Show SMILES Fc1ccc(CNC(=O)COc2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C23H23FN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50117853 (CHEMBL3613995) Show SMILES COc1cccc(NC(=O)COc2ccc(cc2)S(=O)(=O)NCCc2ccccc2)c1 Show InChI InChI=1S/C23H24N2O5S/c1-29-21-9-5-8-19(16-21)25-23(26)17-30-20-10-12-22(13-11-20)31(27,28)24-15-14-18-6-3-2-4-7-18/h2-13,16,24H,14-15,17H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES O[C@@]12CC\C=C/CCCCN3CC[C@@H](C(=C1)c1nccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3 |r,c:4,14,36| Show InChI InChI=1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36-/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	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Non-ATP competitive inhibition of GSK3beta				Bioorg Med Chem Lett 22: 7232-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.043 BindingDB Entry DOI: 10.7270/Q2KD2034
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50117846 (CHEMBL3613988) Show SMILES Fc1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C22H21FN2O4S/c23-18-6-8-19(9-7-18)25-22(26)16-29-20-10-12-21(13-11-20)30(27,28)24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50117848 (CHEMBL3613990) Show SMILES COc1ccccc1NC(=O)COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C23H24N2O5S/c1-29-22-10-6-5-9-21(22)25-23(26)17-30-19-11-13-20(14-12-19)31(27,28)24-16-15-18-7-3-2-4-8-18/h2-14,24H,15-17H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50117844 (CHEMBL3613986) Show SMILES O=C(COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1)Nc1ccccc1 Show InChI InChI=1S/C22H22N2O4S/c25-22(24-19-9-5-2-6-10-19)17-28-20-11-13-21(14-12-20)29(26,27)23-16-15-18-7-3-1-4-8-18/h1-14,23H,15-17H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50117843 (CHEMBL3613985) Show SMILES Fc1cccc(CNC(=O)COc2ccc(cc2)S(=O)(=O)NCCc2ccccc2)c1 Show InChI InChI=1S/C23H23FN2O4S/c24-20-8-4-7-19(15-20)16-25-23(27)17-30-21-9-11-22(12-10-21)31(28,29)26-14-13-18-5-2-1-3-6-18/h1-12,15,26H,13-14,16-17H2,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50254230 (CHEMBL4093733) Show SMILES C(Oc1ccccc1-c1nc2cccnc2o1)c1ccccc1 Show InChI InChI=1S/C19H14N2O2/c1-2-7-14(8-3-1)13-22-17-11-5-4-9-15(17)18-21-16-10-6-12-20-19(16)23-18/h1-12H,13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50469285 (CHEMBL4279567) Show SMILES CS(=O)(=O)Nc1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C31H28ClN3O4S2/c1-41(38,39)34-26-10-3-2-8-24(26)20-35-27-11-4-5-12-28(27)40-29(18-30(35)36)22-13-15-23(16-14-22)31(37)33-19-21-7-6-9-25(32)17-21/h2-17,29,34H,18-20H2,1H3,(H,33,37)	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	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50469279 (CHEMBL4283032) Show SMILES Cc1ccc(CNC(=O)c2ccc(cc2)C2CC(=O)N(Cc3ccccc3[N+]([O-])=O)c3ccccc3S2)cc1 Show InChI InChI=1S/C31H27N3O4S/c1-21-10-12-22(13-11-21)19-32-31(36)24-16-14-23(15-17-24)29-18-30(35)33(27-8-4-5-9-28(27)39-29)20-25-6-2-3-7-26(25)34(37)38/h2-17,29H,18-20H2,1H3,(H,32,36)	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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50469288 (CHEMBL4290418) Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C30H24FN3O4S/c31-24-15-9-20(10-16-24)18-32-30(36)22-13-11-21(12-14-22)28-17-29(35)33(26-7-3-4-8-27(26)39-28)19-23-5-1-2-6-25(23)34(37)38/h1-16,28H,17-19H2,(H,32,36)	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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50469283 (CHEMBL4284111) Show SMILES CS(=O)(=O)c1cccc(c1)N1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C30H25ClN2O4S2/c1-39(36,37)25-9-5-8-24(17-25)33-26-10-2-3-11-27(26)38-28(18-29(33)34)21-12-14-22(15-13-21)30(35)32-19-20-6-4-7-23(31)16-20/h2-17,28H,18-19H2,1H3,(H,32,35)	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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50254221 (CHEMBL4093369) Show SMILES Cc1cccc(COc2ccccc2-c2nc3cccnc3o2)c1 Show InChI InChI=1S/C20H16N2O2/c1-14-6-4-7-15(12-14)13-23-18-10-3-2-8-16(18)19-22-17-9-5-11-21-20(17)24-19/h2-12H,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50469289 (CHEMBL4293500) Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C30H24FN3O4S/c31-24-8-5-6-20(16-24)18-32-30(36)22-14-12-21(13-15-22)28-17-29(35)33(26-10-3-4-11-27(26)39-28)19-23-7-1-2-9-25(23)34(37)38/h1-16,28H,17-19H2,(H,32,36)	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	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50254222 (CHEMBL4099898) Show SMILES COc1ccccc1COc1ccccc1-c1nc2cccnc2o1 Show InChI InChI=1S/C20H16N2O3/c1-23-17-10-4-2-7-14(17)13-24-18-11-5-3-8-15(18)19-22-16-9-6-12-21-20(16)25-19/h2-12H,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50469306 (CHEMBL4278749) Show SMILES Cc1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1 Show InChI InChI=1S/C23H20N2O3S/c1-16-10-12-17(13-11-16)22-14-23(26)24(20-8-4-5-9-21(20)29-22)15-18-6-2-3-7-19(18)25(27)28/h2-13,22H,14-15H2,1H3	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50469281 (CHEMBL4287006) Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccccc1F Show InChI InChI=1S/C30H24FN3O4S/c31-24-9-3-1-7-22(24)18-32-30(36)21-15-13-20(14-16-21)28-17-29(35)33(26-11-5-6-12-27(26)39-28)19-23-8-2-4-10-25(23)34(37)38/h1-16,28H,17-19H2,(H,32,36)	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50469290 (CHEMBL4287420) Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H27N3O4S/c35-30-20-29(23-14-16-24(17-15-23)31(36)32-19-18-22-8-2-1-3-9-22)39-28-13-7-6-12-27(28)33(30)21-25-10-4-5-11-26(25)34(37)38/h1-17,29H,18-21H2,(H,32,36)	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	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447012 (CHEMBL1446389) Show SMILES N#CC(Nc1ccccc1)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C21H18N2O/c22-15-20(23-18-11-5-2-6-12-18)19-13-7-8-14-21(19)24-16-17-9-3-1-4-10-17/h1-14,20,23H,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50469295 (CHEMBL4282621) Show SMILES CCCCNC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1 Show InChI InChI=1S/C27H27N3O4S/c1-2-3-16-28-27(32)20-14-12-19(13-15-20)25-17-26(31)29(23-10-6-7-11-24(23)35-25)18-21-8-4-5-9-22(21)30(33)34/h4-15,25H,2-3,16-18H2,1H3,(H,28,32)	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	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50428463 (CHEMBL2334795) Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(Cc2ccccc2)CC1=O Show InChI InChI=1S/C23H20N2O3S/c26-23-15-19(14-17-8-2-1-3-9-17)29-22-13-7-6-12-21(22)24(23)16-18-10-4-5-11-20(18)25(27)28/h1-13,19H,14-16H2	PDB MMDB 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	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using 650HSSPHQ(pS)EDEEE as substrate after 30 mins by luminescence assay				Eur J Med Chem 61: 95-103 (2013) Article DOI: 10.1016/j.ejmech.2012.09.021 BindingDB Entry DOI: 10.7270/Q24J0GF0
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50117839 (CHEMBL3613982) Show SMILES O=C(COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1)NCc1ccccc1 Show InChI InChI=1S/C23H24N2O4S/c26-23(24-17-20-9-5-2-6-10-20)18-29-21-11-13-22(14-12-21)30(27,28)25-16-15-19-7-3-1-4-8-19/h1-14,25H,15-18H2,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50401955 (CHEMBL2207940) Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccccc1 Show InChI InChI=1S/C22H18N2O3S/c25-22-14-21(16-8-2-1-3-9-16)28-20-13-7-6-12-19(20)23(22)15-17-10-4-5-11-18(17)24(26)27/h1-13,21H,14-15H2	PDB MMDB 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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using 650HSSPHQ(pS)EDEEE as substrate after 30 mins by luminescence assay				Eur J Med Chem 61: 95-103 (2013) Article DOI: 10.1016/j.ejmech.2012.09.021 BindingDB Entry DOI: 10.7270/Q24J0GF0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50469287 (CHEMBL4294290) Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccc(Br)cc1 Show InChI InChI=1S/C30H24BrN3O4S/c31-24-15-9-20(10-16-24)18-32-30(36)22-13-11-21(12-14-22)28-17-29(35)33(26-7-3-4-8-27(26)39-28)19-23-5-1-2-6-25(23)34(37)38/h1-16,28H,17-19H2,(H,32,36)	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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50401955 (CHEMBL2207940) Show SMILES [O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccccc1 Show InChI InChI=1S/C22H18N2O3S/c25-22-14-21(16-8-2-1-3-9-16)28-20-13-7-6-12-19(20)23(22)15-17-10-4-5-11-18(17)24(26)27/h1-13,21H,14-15H2	PDB MMDB 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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of GSK3beta by kinase-glo assay method				Bioorg Med Chem Lett 22: 7232-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.043 BindingDB Entry DOI: 10.7270/Q2KD2034
					More data for this Ligand-Target Pair

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