Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50000657   

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))	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))	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))	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))	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))	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))	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-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
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))	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))	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))	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))	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))	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))	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))	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))	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
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50257129 (CHEMBL4088085) Show SMILES COc1ccc(cc1)-n1nc(CNCC(=O)Nc2nc3ccc(OC)cc3s2)c2ccccc2c1=O Show InChI InChI=1S/C26H23N5O4S/c1-34-17-9-7-16(8-10-17)31-25(33)20-6-4-3-5-19(20)22(30-31)14-27-15-24(32)29-26-28-21-12-11-18(35-2)13-23(21)36-26/h3-13,27H,14-15H2,1-2H3,(H,28,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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))	BDBM50257159 (CHEMBL4086549) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3ccccn3)CCC2)C1=O |t:4| Show InChI InChI=1S/C21H20N4O3/c1-24-20(27)16-5-4-12-25(19(16)21(24)28)13-18(26)23-15-9-7-14(8-10-15)17-6-2-3-11-22-17/h2-3,6-11H,4-5,12-13H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	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))	BDBM50257140 (CHEMBL4078705) Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3ccncc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C21H20N4O3/c1-24-20(27)17-3-2-12-25(19(17)21(24)28)13-18(26)23-16-6-4-14(5-7-16)15-8-10-22-11-9-15/h4-11H,2-3,12-13H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	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
Cytochrome P450 3A4 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	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 CYP3A4 (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
Cytochrome P450 3A4 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	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 CYP3A4 (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
Cytochrome P450 3A4 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	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 CYP3A4 (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
Cytochrome P450 3A4 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	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 CYP3A4 (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
Cytochrome P450 3A4 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	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 CYP3A4 (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
Cytochrome P450 1A2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	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 CYP1A2 (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
Cytochrome P450 2D6 (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	8.40E+3	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 CYP2D6 (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
Cytochrome P450 2D6 (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	8.50E+3	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 CYP2D6 (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
Cytochrome P450 3A4 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (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
Cytochrome P450 2D6 (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	>2.00E+4	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 CYP2D6 (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
Cytochrome P450 2D6 (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	>2.00E+4	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 CYP2D6 (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
Cytochrome P450 2D6 (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	>3.00E+4	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 CYP2D6 (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
Cytochrome P450 2D6 (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	>3.00E+4	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 CYP2D6 (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
Cytochrome P450 2D6 (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	>3.00E+4	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 CYP2D6 (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
Cytochrome P450 3A4 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	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 CYP3A4 (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
Potassium voltage-gated channel subfamily H member 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+4	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 human ERG by patch clamp 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
Dual specificity mitogen-activated protein kinase kinase 5 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+3	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 partial length human MEK5 expressed in mammalian expression system by KINOMEscan 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 RIO2 (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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.40E+3	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 partial length human RIOK2 expressed in mammalian expression system by KINOMEscan 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