Compile Data Set for Download or QSAR

Found 616 hits with Last Name = 'pendharkar' and Initial = 'v'   

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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502427 (CHEMBL4542517) Show SMILES CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C1(N)CC1 |r| Show InChI InChI=1S/C28H31ClN4O3/c1-3-14-36-27(35)33-13-12-32(17-18(33)2)26(34)20-6-9-22-23(29)16-24(31-25(22)15-20)19-4-7-21(8-5-19)28(30)10-11-28/h4-9,15-16,18H,3,10-14,17,30H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502433 (CHEMBL4575866) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C(=O)NC Show InChI InChI=1S/C26H27ClN4O4/c1-3-14-35-26(34)31-12-10-30(11-13-31)25(33)19-8-9-20-21(27)16-22(29-23(20)15-19)17-4-6-18(7-5-17)24(32)28-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502434 (CHEMBL4551647) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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))	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))	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
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
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470392 (CHEMBL4283208) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C28H31N9O3S/c1-3-29-27(38)33-23-9-20(26-32-22(14-41-26)15-4-5-15)21(11-30-23)19-8-16(25-34-35-28(39)40-25)10-31-24(19)37-17-6-7-18(37)13-36(2)12-17/h8-11,14-15,17-18H,3-7,12-13H2,1-2H3,(H,35,39)(H2,29,30,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					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
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470399 (CHEMBL4286573) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1CCC(N)CC1)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C24H24F3N9O3S/c1-2-29-22(37)33-18-8-15(21-32-17(11-40-21)24(25,26)27)16(10-30-18)14-7-12(20-34-35-23(38)39-20)9-31-19(14)36-5-3-13(28)4-6-36/h7-11,13H,2-6,28H2,1H3,(H,35,38)(H2,29,30,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					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
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470392 (CHEMBL4283208) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C28H31N9O3S/c1-3-29-27(38)33-23-9-20(26-32-22(14-41-26)15-4-5-15)21(11-30-23)19-8-16(25-34-35-28(39)40-25)10-31-24(19)37-17-6-7-18(37)13-36(2)12-17/h8-11,14-15,17-18H,3-7,12-13H2,1-2H3,(H,35,39)(H2,29,30,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470406 (CHEMBL4295081) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](N)C1)N2c1nc2cccnc2cc1-c1cnc(NC(=O)NCC)cc1-c1nc(cs1)C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N8OS/c1-2-32-26(39)37-23-11-18(25-36-22(13-40-25)27(28,29)30)19(12-34-23)17-10-21-20(4-3-7-33-21)35-24(17)38-15-5-6-16(38)9-14(31)8-15/h3-4,7,10-16H,2,5-6,8-9,31H2,1H3,(H2,32,34,37,39)/t14-,15+,16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470397 (CHEMBL4294536) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CCN(C)CC1 Show InChI InChI=1S/C25H25F3N8OS/c1-3-29-24(37)34-21-12-16(23-33-20(14-38-23)25(26,27)28)17(13-31-21)15-11-19-18(5-4-6-30-19)32-22(15)36-9-7-35(2)8-10-36/h4-6,11-14H,3,7-10H2,1-2H3,(H2,29,31,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					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
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470393 (CHEMBL4291061) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](N)C1)N2c1ncc(cc1-c1cnc(NC(=O)NCC)cc1-c1nc(cs1)C(F)(F)F)-c1n[nH]c(=O)o1 |r| Show InChI InChI=1S/C26H26F3N9O3S/c1-2-31-24(39)35-20-8-17(23-34-19(11-42-23)26(27,28)29)18(10-32-20)16-5-12(22-36-37-25(40)41-22)9-33-21(16)38-14-3-4-15(38)7-13(30)6-14/h5,8-11,13-15H,2-4,6-7,30H2,1H3,(H,37,40)(H2,31,32,35,39)/t13-,14+,15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470407 (CHEMBL4286625) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cnc2cccnc2c1 Show InChI InChI=1S/C20H15F3N6OS/c1-2-24-19(30)29-17-7-12(18-28-16(10-31-18)20(21,22)23)13(9-27-17)11-6-15-14(26-8-11)4-3-5-25-15/h3-10H,2H2,1H3,(H2,24,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					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
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470400 (CHEMBL4289998) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1nnn[nH]1 Show InChI InChI=1S/C25H26F3N11OS/c1-3-29-24(40)33-20-7-17(23-32-19(12-41-23)25(26,27)28)18(9-30-20)16-6-13(21-34-36-37-35-21)8-31-22(16)39-14-4-5-15(39)11-38(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H2,29,30,33,40)(H,34,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470403 (CHEMBL4294467) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C26H26F3N9O3S/c1-3-30-24(39)34-20-7-17(23-33-19(12-42-23)26(27,28)29)18(9-31-20)16-6-13(22-35-36-25(40)41-22)8-32-21(16)38-14-4-5-15(38)11-37(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,40)(H2,30,31,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	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 Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470401 (CHEMBL4290062) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CC1CN(C)C2 Show InChI InChI=1S/C26H25F3N8OS/c1-3-30-25(38)35-22-9-17(24-34-21(13-39-24)26(27,28)29)18(10-32-22)16-8-20-19(5-4-6-31-20)33-23(16)37-14-7-15(37)12-36(2)11-14/h4-6,8-10,13-15H,3,7,11-12H2,1-2H3,(H2,30,32,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					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
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470403 (CHEMBL4294467) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C26H26F3N9O3S/c1-3-30-24(39)34-20-7-17(23-33-19(12-42-23)26(27,28)29)18(9-31-20)16-6-13(22-35-36-25(40)41-22)8-32-21(16)38-14-4-5-15(38)11-37(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,40)(H2,30,31,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470394 (CHEMBL4281775) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(O)=O Show InChI InChI=1S/C25H26F3N7O3S/c1-3-29-24(38)33-20-7-17(22-32-19(12-39-22)25(26,27)28)18(9-30-20)16-6-13(23(36)37)8-31-21(16)35-14-4-5-15(35)11-34(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,37)(H2,29,30,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470396 (CHEMBL4293447) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CCC(N)CC1 Show InChI InChI=1S/C25H25F3N8OS/c1-2-30-24(37)35-21-11-16(23-34-20(13-38-23)25(26,27)28)17(12-32-21)15-10-19-18(4-3-7-31-19)33-22(15)36-8-5-14(29)6-9-36/h3-4,7,10-14H,2,5-6,8-9,29H2,1H3,(H2,30,32,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50006565 (CHEMBL3235085) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)C(O)=O Show InChI InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					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
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470404 (CHEMBL4279382) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2 Show InChI InChI=1S/C27H27F3N8OS/c1-3-31-26(39)36-23-10-18(25-35-22(14-40-25)27(28,29)30)19(11-33-23)17-9-21-20(5-4-8-32-21)34-24(17)38-15-6-7-16(38)13-37(2)12-15/h4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H2,31,33,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					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
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))	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
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470402 (CHEMBL4278317) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CC2CCC1CN2 Show InChI InChI=1S/C26H25F3N8OS/c1-2-30-25(38)36-22-9-17(24-35-21(13-39-24)26(27,28)29)18(11-33-22)16-8-20-19(4-3-7-31-20)34-23(16)37-12-14-5-6-15(37)10-32-14/h3-4,7-9,11,13-15,32H,2,5-6,10,12H2,1H3,(H2,30,33,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470394 (CHEMBL4281775) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(O)=O Show InChI InChI=1S/C25H26F3N7O3S/c1-3-29-24(38)33-20-7-17(22-32-19(12-39-22)25(26,27)28)18(9-30-20)16-6-13(23(36)37)8-31-21(16)35-14-4-5-15(35)11-34(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,37)(H2,29,30,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					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
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
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470395 (CHEMBL4279313) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(=O)NS(C)(=O)=O Show InChI InChI=1S/C26H29F3N8O4S2/c1-4-30-25(39)34-21-8-18(24-33-20(13-42-24)26(27,28)29)19(10-31-21)17-7-14(23(38)35-43(3,40)41)9-32-22(17)37-15-5-6-16(37)12-36(2)11-15/h7-10,13,15-16H,4-6,11-12H2,1-3H3,(H,35,38)(H2,30,31,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					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
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470405 (CHEMBL4289650) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(ccc1N1C2CCC1CN(C)C2)C(O)=O Show InChI InChI=1S/C26H27F3N6O3S/c1-3-30-25(38)33-22-9-18(23-32-21(13-39-23)26(27,28)29)19(10-31-22)17-8-14(24(36)37)4-7-20(17)35-15-5-6-16(35)12-34(2)11-15/h4,7-10,13,15-16H,3,5-6,11-12H2,1-2H3,(H,36,37)(H2,30,31,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					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
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470400 (CHEMBL4289998) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1nnn[nH]1 Show InChI InChI=1S/C25H26F3N11OS/c1-3-29-24(40)33-20-7-17(23-32-19(12-41-23)25(26,27)28)18(9-30-20)16-6-13(21-34-36-37-35-21)8-31-22(16)39-14-4-5-15(39)11-38(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H2,29,30,33,40)(H,34,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470395 (CHEMBL4279313) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(=O)NS(C)(=O)=O Show InChI InChI=1S/C26H29F3N8O4S2/c1-4-30-25(39)34-21-8-18(24-33-20(13-42-24)26(27,28)29)19(10-31-21)17-7-14(23(38)35-43(3,40)41)9-32-22(17)37-15-5-6-16(37)12-36(2)11-15/h7-10,13,15-16H,4-6,11-12H2,1-3H3,(H,35,38)(H2,30,31,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470405 (CHEMBL4289650) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(ccc1N1C2CCC1CN(C)C2)C(O)=O Show InChI InChI=1S/C26H27F3N6O3S/c1-3-30-25(38)33-22-9-18(23-32-21(13-39-23)26(27,28)29)19(10-31-22)17-8-14(24(36)37)4-7-20(17)35-15-5-6-16(35)12-34(2)11-15/h4,7-10,13,15-16H,3,5-6,11-12H2,1-2H3,(H,36,37)(H2,30,31,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					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

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