Compile Data Set for Download or QSAR

Found 310 hits with Last Name = 'tan' and Initial = 'es'   

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
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))	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))	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))	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 kinase C iota type (Homo sapiens (Human))	BDBM50455611 (CHEMBL4212424) Show SMILES COc1cc2CC(CF)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C10H14N2O3S2/c1-2-3-12-6-8-4-7-5-9(17(11,13)14)15-10(7)16-8/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455569 (CHEMBL4202753) Show SMILES COc1cc2CCNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C24H21N5O/c1-30-23-12-15-2-6-25-13-17(15)10-20(23)21-14-28-29-9-5-16(11-22(21)29)18-3-7-26-24-19(18)4-8-27-24/h3-5,7-12,14,25H,2,6,13H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					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 kinase C iota type (Homo sapiens (Human))	BDBM50455593 (CHEMBL4208685) Show SMILES COc1cc2CC(C)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H23N5O/c1-15-9-17-12-24(31-2)21(10-18(17)13-28-15)22-14-29-30-8-5-16(11-23(22)30)19-3-6-26-25-20(19)4-7-27-25/h3-8,10-12,14-15,28H,9,13H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					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 kinase C iota type (Homo sapiens (Human))	BDBM50455592 (CHEMBL4206065) Show SMILES COc1cc2CN(C)Cc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C24H21N5O/c1-28-13-16-9-20(23(30-2)11-17(16)14-28)21-12-27-29-8-5-15(10-22(21)29)18-3-6-25-24-19(18)4-7-26-24/h3-12H,13-14H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					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
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455602 (CHEMBL4216507) Show SMILES COc1cc2CNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-22-10-16-12-24-11-15(16)8-19(22)20-13-27-28-7-4-14(9-21(20)28)17-2-5-25-23-18(17)3-6-26-23/h2-10,13,24H,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					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
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
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
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375523 (4-(6-(4-(4-(dimethylamino)piperidine-1-carbonyl)ph...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C27H26N6O/c1-31(2)23-13-15-32(16-14-23)27(34)22-9-7-20(8-10-22)24-11-12-26-29-18-25(33(26)30-24)21-5-3-19(17-28)4-6-21/h3-12,18,23H,13-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					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
Protein kinase C zeta type (Homo sapiens (Human))	BDBM50455589 (CHEMBL4213984) Show SMILES COc1cc2CNCc2cc1-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-22-10-16-12-24-11-15(16)9-21(22)28-13-27-19-3-2-14(8-20(19)28)17-4-6-25-23-18(17)5-7-26-23/h2-10,13,24H,11-12H2,1H3,(H,25,26)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-zeta expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					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
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375523 (4-(6-(4-(4-(dimethylamino)piperidine-1-carbonyl)ph...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C27H26N6O/c1-31(2)23-13-15-32(16-14-23)27(34)22-9-7-20(8-10-22)24-11-12-26-29-18-25(33(26)30-24)21-5-3-19(17-28)4-6-21/h3-12,18,23H,13-16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					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
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
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
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
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375525 (4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C24H20N6O/c25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h1-10,16,26H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GST-tagged PIM1 by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115828 BindingDB Entry DOI: 10.7270/Q27D2ZSK
					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
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375513 ((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C25H22N6O/c1-29-12-14-30(15-13-29)25(32)21-8-6-19(7-9-21)22-10-11-24-27-17-23(31(24)28-22)20-4-2-18(16-26)3-5-20/h2-11,17H,12-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375522 (4-(6-(4-(morpholine-4-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C24H19N5O2/c25-15-17-1-3-19(4-2-17)22-16-26-23-10-9-21(27-29(22)23)18-5-7-20(8-6-18)24(30)28-11-13-31-14-12-28/h1-10,16H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					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
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375513 ((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C25H22N6O/c1-29-12-14-30(15-13-29)25(32)21-8-6-19(7-9-21)22-10-11-24-27-17-23(31(24)28-22)20-4-2-18(16-26)3-5-20/h2-11,17H,12-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375525 (4-(6-(4-(piperazine-1-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C24H20N6O/c25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h1-10,16,26H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50554730 (CHEMBL4789605) Show SMILES CCOC(=O)c1nnc2c3c(-c4ccccc4Cl)c(C#N)c(=O)[nH]c3nn2c1O |(18.46,-9.7,;17.56,-8.46,;16.03,-8.63,;15.13,-7.39,;15.74,-5.99,;13.6,-7.56,;12.69,-6.32,;11.16,-6.48,;10.54,-7.89,;9.08,-8.38,;7.74,-7.61,;7.73,-6.08,;9.07,-5.31,;9.06,-3.77,;7.73,-3,;6.4,-3.79,;6.41,-5.32,;5.08,-6.1,;6.42,-8.39,;5.09,-7.61,;3.75,-6.85,;6.42,-9.93,;5.08,-10.7,;7.75,-10.7,;9.09,-9.92,;10.56,-10.39,;11.46,-9.13,;12.98,-8.96,;13.88,-10.21,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GST-tagged PIM1 by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115828 BindingDB Entry DOI: 10.7270/Q27D2ZSK
					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
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455566 (CHEMBL4208028) Show SMILES COc1cc2CNCc2cc1-n1cnc2cnc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C22H18N6O/c1-29-21-7-14-10-23-9-13(14)6-20(21)28-12-27-18-11-26-17(8-19(18)28)15-2-4-24-22-16(15)3-5-25-22/h2-8,11-12,23H,9-10H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt 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
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50455538 (CHEMBL4214092) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H24N6O3/c1-29-10-12-30(13-11-29)25(33)20-8-2-17(3-9-20)21-16-31-22(14-27-23(31)15-26-21)18-4-6-19(7-5-18)24(32)28-34/h2-9,14-16,34H,10-13H2,1H3,(H,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					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
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375522 (4-(6-(4-(morpholine-4-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C24H19N5O2/c25-15-17-1-3-19(4-2-17)22-16-26-23-10-9-21(27-29(22)23)18-5-7-20(8-6-18)24(30)28-11-13-31-14-12-28/h1-10,16H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					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
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257162 (CHEMBL4102043) Show SMILES Cn1c2nc3CCC(C(=O)Nc4ccc(cc4)-c4nccs4)n3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H18N6O3S/c1-24-16-15(19(28)25(2)20(24)29)26-13(7-8-14(26)23-16)17(27)22-12-5-3-11(4-6-12)18-21-9-10-30-18/h3-6,9-10,13H,7-8H2,1-2H3,(H,22,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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 , 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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50554729 (CHEMBL4788802) Show SMILES Nc1c(nnc2c3c(-c4ccccc4Cl)c(C#N)c(=O)[nH]c3nn12)C#N |(52.67,-49.84,;51.77,-48.6,;52.38,-47.19,;51.48,-45.95,;49.95,-46.12,;49.33,-47.52,;47.87,-48.01,;46.53,-47.25,;46.52,-45.71,;47.86,-44.94,;47.85,-43.41,;46.52,-42.63,;45.19,-43.42,;45.2,-44.96,;43.87,-45.73,;45.21,-48.02,;43.88,-47.25,;42.54,-46.48,;45.21,-49.56,;43.87,-50.33,;46.54,-50.33,;47.88,-49.56,;49.35,-50.02,;50.25,-48.76,;53.91,-47.02,;55.44,-46.85,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GST-tagged PIM1 by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115828 BindingDB Entry DOI: 10.7270/Q27D2ZSK
					More data for this Ligand-Target Pair

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