Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'ding' and Initial = 'lj'   

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
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50133870 (CHEBI:78030 | CHEMBL3188386 | US10251893, Compound...) Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C Show InChI InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin)				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257135 (CHEMBL4080208) Show SMILES Cn1c2ncn(CC(=O)Nc3ccc(cc3)-c3ccsc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H17N5O3S/c1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)9-15(25)21-14-5-3-12(4-6-14)13-7-8-28-10-13/h3-8,10-11H,9H2,1-2H3,(H,21,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50170221 (CHEMBL3806189) Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257143 (CHEMBL4080021) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3ccccc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C20H19N5O3/c1-24-19(27)14-8-5-11-25(18(14)20(24)28)12-17(26)21-16-10-9-15(22-23-16)13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,21,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257160 (CHEMBL4096728) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cn3)-c3ccccc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C21H20N4O3/c1-24-20(27)16-8-5-11-25(19(16)21(24)28)13-18(26)23-17-10-9-15(12-22-17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,22,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233629 (CHEMBL4080842) Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1ccccc1 |r| Show InChI InChI=1S/C23H22N6O/c1-16(27-19-9-10-20(24-15-19)21-12-13-26-29(21)2)23(30)28-22-11-8-18(14-25-22)17-6-4-3-5-7-17/h3-16,27H,1-2H3,(H,25,28,30)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233628 (CHEMBL4088716) Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1cccnc1 |r| Show InChI InChI=1S/C22H21N7O/c1-15(27-18-6-7-19(24-14-18)20-9-11-26-29(20)2)22(30)28-21-8-5-17(13-25-21)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,25,28,30)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233636 (CHEMBL4070649) Show SMILES Cc1nccn1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O2/c1-18-25-15-16-27(18)22-11-13-23(14-12-22)29-17-24(28)26-21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50133866 (CHEMBL3633802) Show SMILES Cn1c2ncn(CC(=O)Nc3ccc(nn3)-c3ccccc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H17N7O3/c1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin)				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233635 (CHEMBL4099279) Show SMILES Cn1nccc1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O2/c1-27-23(15-16-25-27)20-9-13-22(14-10-20)29-17-24(28)26-21-11-7-19(8-12-21)18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233630 (CHEMBL4084739) Show SMILES C[C@H](Nc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cn1)-c1ccccc1 |r| Show InChI InChI=1S/C23H21N5O/c1-17(26-20-8-10-21(11-9-20)28-14-13-24-16-28)23(29)27-22-12-7-19(15-25-22)18-5-3-2-4-6-18/h2-17,26H,1H3,(H,25,27,29)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257141 (CHEMBL4069295) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nc3)-c3ccccc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C21H20N4O3/c1-24-20(27)16-8-5-11-25(19(16)21(24)28)13-18(26)23-15-9-10-17(22-12-15)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50170222 (CHEMBL3805771) Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233633 (CHEMBL4089128) Show SMILES C[C@H](Oc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H21N3O2/c1-18(29-23-13-11-22(12-14-23)27-16-15-25-17-27)24(28)26-21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-18H,1H3,(H,26,28)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170223 (CHEMBL3805330) Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257139 (CHEMBL4104447) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3cccnc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C21H20N4O3/c1-24-20(27)17-5-3-11-25(19(17)21(24)28)13-18(26)23-16-8-6-14(7-9-16)15-4-2-10-22-12-15/h2,4,6-10,12H,3,5,11,13H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170218 (CHEMBL3804952) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H32F3N5O2/c1-3-35-12-14-36(15-13-35)19-21-6-7-22(17-25(21)28(29,30)31)34-27(37)16-20-4-8-23(9-5-20)38-24-10-11-33-26(18-24)32-2/h4-11,17-18H,3,12-16,19H2,1-2H3,(H,32,33)(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257144 (CHEMBL4066589) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3cncc(F)c3)CCC2)C1=O |t:4| Show InChI InChI=1S/C19H17FN6O3/c1-25-18(28)13-3-2-6-26(17(13)19(25)29)10-16(27)22-15-5-4-14(23-24-15)11-7-12(20)9-21-8-11/h4-5,7-9H,2-3,6,10H2,1H3,(H,22,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50170221 (CHEMBL3806189) Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170217 (CHEMBL3805114) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)19-21-5-6-22(18-25(21)27(28,29)30)32-26(35)17-20-3-7-23(8-4-20)36-24-9-11-31-12-10-24/h3-12,18H,2,13-17,19H2,1H3,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233640 (CHEMBL4098880) Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(nc1)-c1cccnc1 |r| Show InChI InChI=1S/C22H21N7O/c1-15(27-17-6-8-20(25-13-17)21-9-11-26-29(21)2)22(30)28-18-5-7-19(24-14-18)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,28,30)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170221 (CHEMBL3806189) Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170215 (CHEMBL3806261) Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H30F3N5O/c1-2-34-12-14-35(15-13-34)19-22-7-10-24(16-25(22)27(28,29)30)33-26(36)18-32-23-8-5-20(6-9-23)21-4-3-11-31-17-21/h3-11,16-17,32H,2,12-15,18-19H2,1H3,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257145 (CHEMBL4095609) Show SMILES Fc1cncc(c1)-c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C2CC2)C3=O)nn1 |c:20| Show InChI InChI=1S/C21H19FN6O3/c22-13-8-12(9-23-10-13)16-5-6-17(26-25-16)24-18(29)11-27-7-1-2-15-19(27)21(31)28(20(15)30)14-3-4-14/h5-6,8-10,14H,1-4,7,11H2,(H,24,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257142 (CHEMBL4096529) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nc3)-c3cccnc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C20H19N5O3/c1-24-19(27)15-5-3-9-25(18(15)20(24)28)12-17(26)23-14-6-7-16(22-11-14)13-4-2-8-21-10-13/h2,4,6-8,10-11H,3,5,9,12H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt 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
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257128 (CHEMBL4087906) Show SMILES O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7| Show InChI InChI=1S/C21H20N6O3/c28-18(23-17-8-7-16(24-25-17)13-3-1-9-22-11-13)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12H2,(H,23,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257138 (CHEMBL4066796) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3ccccc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C22H21N3O3/c1-24-21(27)18-8-5-13-25(20(18)22(24)28)14-19(26)23-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170171 (CHEMBL3805029) Show SMILES FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)23-14-21(6-3-20(23)16-32-12-10-29-11-13-32)31-24(33)17-34-22-7-4-18(5-8-22)19-2-1-9-30-15-19/h1-9,14-15,29H,10-13,16-17H2,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257157 (CHEMBL4103356) Show SMILES Cc1ccc(cn1)-c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C2CC2)C3=O)nn1 |c:20| Show InChI InChI=1S/C22H22N6O3/c1-13-4-5-14(11-23-13)17-8-9-18(26-25-17)24-19(29)12-27-10-2-3-16-20(27)22(31)28(21(16)30)15-6-7-15/h4-5,8-9,11,15H,2-3,6-7,10,12H2,1H3,(H,24,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170216 (CHEMBL3805956) Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-12-14-34(15-13-33)18-22-5-8-23(16-25(22)27(28,29)30)32-26(35)19-36-24-9-6-20(7-10-24)21-4-3-11-31-17-21/h3-11,16-17H,2,12-15,18-19H2,1H3,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257136 (CHEMBL4061069) Show SMILES CN1C(=O)c2cccc(CC(=O)Nc3ccc(cc3)-c3nccs3)c2C1=O Show InChI InChI=1S/C20H15N3O3S/c1-23-19(25)15-4-2-3-13(17(15)20(23)26)11-16(24)22-14-7-5-12(6-8-14)18-21-9-10-27-18/h2-10H,11H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233639 (CHEMBL4097104) Show SMILES O=C(COc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H19N3O2/c27-23(16-28-22-12-10-21(11-13-22)26-15-14-24-17-26)25-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257137 (CHEMBL4094309) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3nccs3)CCC2)C1=O |t:4| Show InChI InChI=1S/C19H18N4O3S/c1-22-18(25)14-3-2-9-23(16(14)19(22)26)11-15(24)21-13-6-4-12(5-7-13)17-20-8-10-27-17/h4-8,10H,2-3,9,11H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170222 (CHEMBL3805771) Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50233639 (CHEMBL4097104) Show SMILES O=C(COc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H19N3O2/c27-23(16-28-22-12-10-21(11-13-22)26-15-14-24-17-26)25-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50170222 (CHEMBL3805771) Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant FLT3 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50170221 (CHEMBL3806189) Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM31085 (1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50170221 (CHEMBL3806189) Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant FLT3 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50170221 (CHEMBL3806189) Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170219 (CHEMBL3805074) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-6-7-21(15-23(20)27(28,29)30)34-25(37)14-19-4-8-22(9-5-19)38-26-16-24(31-2)32-18-33-26/h4-9,15-16,18H,3,10-14,17H2,1-2H3,(H,34,37)(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50170222 (CHEMBL3805771) Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257134 (CHEMBL4066798) Show SMILES Cn1c2ncn(CC(=O)Nc3ccc(cc3)-c3nccs3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H16N6O3S/c1-22-15-14(17(26)23(2)18(22)27)24(10-20-15)9-13(25)21-12-5-3-11(4-6-12)16-19-7-8-28-16/h3-8,10H,9H2,1-2H3,(H,21,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257158 (CHEMBL4104257) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3cccnc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C19H18N6O3/c1-24-18(27)13-5-3-9-25(17(13)19(24)28)11-16(26)21-15-7-6-14(22-23-15)12-4-2-8-20-10-12/h2,4,6-8,10H,3,5,9,11H2,1H3,(H,21,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257161 (CHEMBL4075204) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3ccc(C)nc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C20H20N6O3/c1-12-5-6-13(10-21-12)15-7-8-16(24-23-15)22-17(27)11-26-9-3-4-14-18(26)20(29)25(2)19(14)28/h5-8,10H,3-4,9,11H2,1-2H3,(H,22,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay				J Med Chem 60: 6678-6692 (2017) Article DOI: 10.1021/acs.jmedchem.7b00662 BindingDB Entry DOI: 10.7270/Q2571FF5
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233634 (CHEMBL4081262) Show SMILES O=C(CNc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H20N4O/c28-23(16-25-20-10-12-22(13-11-20)27-15-14-24-17-27)26-21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-15,17,25H,16H2,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170166 (CHEMBL3804921) Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)34-25-9-5-20(15-33-25)19-2-6-22(7-3-19)32-16-26(38)35-23-8-4-21(24(14-23)27(28,29)30)17-36-12-10-31-11-13-36/h2-9,14-15,31-32H,10-13,16-17H2,1H3,(H,35,38)(H,33,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170168 (CHEMBL3805865) Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-23-4-8-24(16-26(23)29(30,31)32)35-28(39)19-40-25-9-5-21(6-10-25)22-7-11-27(33-17-22)34-20(2)38/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,35,39)(H,33,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233641 (CHEMBL4096832) Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)[C@@H]1CCCN1c1ccc(cc1)-n1ccnc1 |r| Show InChI InChI=1S/C26H24N4O/c31-26(28-22-10-8-21(9-11-22)20-5-2-1-3-6-20)25-7-4-17-30(25)24-14-12-23(13-15-24)29-18-16-27-19-29/h1-3,5-6,8-16,18-19,25H,4,7,17H2,(H,28,31)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233637 (CHEMBL4063419) Show SMILES O=C(COc1ccc(cc1)-c1cnco1)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H18N2O3/c26-23(15-27-21-12-8-19(9-13-21)22-14-24-16-28-22)25-20-10-6-18(7-11-20)17-4-2-1-3-5-17/h1-14,16H,15H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair

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