Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'gray' and Initial = 'c'   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15131 (5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of AKT1				Nat Chem Biol 5: 484-93 (2009) Article DOI: 10.1038/nchembio.183 BindingDB Entry DOI: 10.7270/Q2D21XTB
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15131 (5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of myristoylated wild type AKT1 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay				Nat Chem Biol 5: 484-93 (2009) Article DOI: 10.1038/nchembio.183 BindingDB Entry DOI: 10.7270/Q2D21XTB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50326705 (3-bromo-4-(4-(2-methoxyphenyl)piperazin-1-yl)-1H-p...) Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C16H17BrN6O/c1-24-12-5-3-2-4-11(12)22-6-8-23(9-7-22)16-13-14(17)20-21-15(13)18-10-19-16/h2-5,10H,6-9H2,1H3,(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of S6K1				Nat Chem Biol 5: 484-93 (2009) Article DOI: 10.1038/nchembio.183 BindingDB Entry DOI: 10.7270/Q2D21XTB
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444153 (CHEMBL3093304) Show SMILES OC(=O)c1cc(ccc1N1CCC(Cc2ccc(F)cc2)C1)C(F)(F)F Show InChI InChI=1S/C19H17F4NO2/c20-15-4-1-12(2-5-15)9-13-7-8-24(11-13)17-6-3-14(19(21,22)23)10-16(17)18(25)26/h1-6,10,13H,7-9,11H2,(H,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15131 (5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of myristoylated wild type AKT2 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay				Nat Chem Biol 5: 484-93 (2009) Article DOI: 10.1038/nchembio.183 BindingDB Entry DOI: 10.7270/Q2D21XTB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372752 (CHEMBL272547) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C25H28N2O3/c28-22-16-21(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21,23H,2,5-6,9-10,15-16H2,(H,26,29)(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15131 (5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of myristoylated wild type AKT3 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay				Nat Chem Biol 5: 484-93 (2009) Article DOI: 10.1038/nchembio.183 BindingDB Entry DOI: 10.7270/Q2D21XTB
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372771 (CHEMBL404127) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CC(NC1=O)C1CCCCC1 Show InChI InChI=1S/C24H32N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h11-14,16,18,20,22H,1-10,15H2,(H,25,28)(H,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372754 (CHEMBL272054) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@H](NC1=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372766 (CHEMBL271482) Show SMILES O=C(NC1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C19H24N2O3/c22-16-12-15(11-13-7-3-1-4-8-13)21-19(24)17(16)18(23)20-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2,(H,20,23)(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444147 (CHEMBL3093396) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCCOCc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3NO4/c22-21(23,24)16-6-7-19(18(12-16)20(26)27)25-9-8-17(13-25)29-11-10-28-14-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,26,27)/t17-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372750 (CHEMBL272914) Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C24H27N3O3/c28-21-16-19(15-17-7-3-1-4-8-17)26-24(30)22(21)23(29)25-18-9-11-20(12-10-18)27-13-5-2-6-14-27/h1,3-4,7-12,19,22H,2,5-6,13-16H2,(H,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372751 (CHEMBL256222) Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C25H22N2O4/c28-22-16-19(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-18-11-13-21(14-12-18)31-20-9-5-2-6-10-20/h1-14,19,23H,15-16H2,(H,26,29)(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444138 (CHEMBL3093392) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F |r| Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human endothelial lipase using HDL as substrate assessed as release of free fatty acids preincubated for 30 mins followed by substrate ...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372760 (CHEMBL257948) Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)C1C(=O)NC(CCc2ccccc2)C1=O Show InChI InChI=1S/C25H22N2O3/c28-23-21(16-11-17-7-3-1-4-8-17)27-25(30)22(23)24(29)26-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-10,12-15,21-22H,11,16H2,(H,26,29)(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444140 (CHEMBL3093394) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ncccc1F)C(F)(F)F |r| Show InChI InChI=1S/C18H16F4N2O3/c19-14-2-1-6-23-15(14)10-27-12-5-7-24(9-12)16-4-3-11(18(20,21)22)8-13(16)17(25)26/h1-4,6,8,12H,5,7,9-10H2,(H,25,26)/t12-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human endothelial lipase using HDL as substrate assessed as release of free fatty acids preincubated for 30 mins followed by substrate ...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444141 (CHEMBL3093393) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccc(F)cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H16F4N2O3/c19-12-2-3-13(23-8-12)10-27-14-5-6-24(9-14)16-4-1-11(18(20,21)22)7-15(16)17(25)26/h1-4,7-8,14H,5-6,9-10H2,(H,25,26)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human endothelial lipase using HDL as substrate assessed as release of free fatty acids preincubated for 30 mins followed by substrate ...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444150 (CHEMBL3093307) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H17F4NO3/c20-14-4-1-12(2-5-14)11-27-15-7-8-24(10-15)17-6-3-13(19(21,22)23)9-16(17)18(25)26/h1-6,9,15H,7-8,10-11H2,(H,25,26)/t15-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372767 (CHEMBL272913) Show SMILES FC(F)(F)c1ccc(NC(=O)C2C(=O)CC(Cc3ccccc3)NC2=O)cn1 Show InChI InChI=1S/C19H16F3N3O3/c20-19(21,22)15-7-6-12(10-23-15)24-17(27)16-14(26)9-13(25-18(16)28)8-11-4-2-1-3-5-11/h1-7,10,13,16H,8-9H2,(H,24,27)(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444148 (CHEMBL3093309) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCCC1CC1)C(F)(F)F |r| Show InChI InChI=1S/C17H20F3NO3/c18-17(19,20)12-3-4-15(14(9-12)16(22)23)21-7-5-13(10-21)24-8-6-11-1-2-11/h3-4,9,11,13H,1-2,5-8,10H2,(H,22,23)/t13-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372762 (CHEMBL272162) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(CCc2ccccc2)C1=O Show InChI InChI=1S/C25H28N2O3/c28-23-21(16-11-17-7-3-1-4-8-17)27-25(30)22(23)24(29)26-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1,3-4,7-8,12-15,18,21-22H,2,5-6,9-11,16H2,(H,26,29)(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372753 (CHEMBL271845) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@@H](NC1=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444144 (CHEMBL3093302) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)Oc1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4NO3/c19-12-2-4-13(5-3-12)26-14-7-8-23(10-14)16-6-1-11(18(20,21)22)9-15(16)17(24)25/h1-6,9,14H,7-8,10H2,(H,24,25)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372753 (CHEMBL271845) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@@H](NC1=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372780 (CHEMBL404126) Show SMILES CC(C)CC1CC(=O)C(C(=O)Nc2ccc(cc2)C2CCCCC2)C(=O)N1 Show InChI InChI=1S/C22H30N2O3/c1-14(2)12-18-13-19(25)20(22(27)24-18)21(26)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,18,20H,3-7,12-13H2,1-2H3,(H,23,26)(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444158 (CHEMBL3093401) Show SMILES Fc1ccc(O[C@H]2CCN(C2)c2ccc(cc2-c2nnn[nH]2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C18H15F4N5O/c19-12-2-4-13(5-3-12)28-14-7-8-27(10-14)16-6-1-11(18(20,21)22)9-15(16)17-23-25-26-24-17/h1-6,9,14H,7-8,10H2,(H,23,24,25,26)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444139 (CHEMBL3093395) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1cncc(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C18H16F4N2O3/c19-13-5-11(7-23-8-13)10-27-14-3-4-24(9-14)16-2-1-12(18(20,21)22)6-15(16)17(25)26/h1-2,5-8,14H,3-4,9-10H2,(H,25,26)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444141 (CHEMBL3093393) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccc(F)cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H16F4N2O3/c19-12-2-3-13(23-8-12)10-27-14-5-6-24(9-14)16-4-1-11(18(20,21)22)7-15(16)17(25)26/h1-4,7-8,14H,5-6,9-10H2,(H,25,26)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444149 (CHEMBL3093308) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCC1CC1)C(F)(F)F |r| Show InChI InChI=1S/C16H18F3NO3/c17-16(18,19)11-3-4-14(13(7-11)15(21)22)20-6-5-12(8-20)23-9-10-1-2-10/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,21,22)/t12-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444151 (CHEMBL3093306) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)Oc1ccc(Cl)nc1)C(F)(F)F |r| Show InChI InChI=1S/C17H14ClF3N2O3/c18-15-4-2-11(8-22-15)26-12-5-6-23(9-12)14-3-1-10(17(19,20)21)7-13(14)16(24)25/h1-4,7-8,12H,5-6,9H2,(H,24,25)/t12-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444138 (CHEMBL3093392) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F |r| Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Fascin (Homo sapiens (human))	BDBM50526225 (CHEMBL4452711) Show SMILES Clc1ccc(Cn2cc(C(=O)Nc3ccncc3)c3n(ncc3c2=O)C2CCNCC2)cc1Cl Show InChI InChI=1S/C24H22Cl2N6O2/c25-20-2-1-15(11-21(20)26)13-31-14-19(23(33)30-16-3-7-27-8-4-16)22-18(24(31)34)12-29-32(22)17-5-9-28-10-6-17/h1-4,7-8,11-12,14,17,28H,5-6,9-10,13H2,(H,27,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
CRUK Beatson Institute Curated by ChEMBL					Assay Description Inhibition of human (His8)2-tagged fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS assessed as reduction in F-actin bundling...				Bioorg Med Chem Lett 29: 1023-1029 (2019) Article DOI: 10.1016/j.bmcl.2019.01.035 BindingDB Entry DOI: 10.7270/Q2XG9VK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelial lipase (Homo sapiens (Human))	BDBM50444138 (CHEMBL3093392) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F |r| Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of full length human endothelial lipase transfected in HEK293 cells using PED-A1 as substrate preincubated for 30 mins followed by substra...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444140 (CHEMBL3093394) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ncccc1F)C(F)(F)F |r| Show InChI InChI=1S/C18H16F4N2O3/c19-14-2-1-6-23-15(14)10-27-12-5-7-24(9-12)16-4-3-11(18(20,21)22)8-13(16)17(25)26/h1-4,6,8,12H,5,7,9-10H2,(H,25,26)/t12-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444154 (CHEMBL3093303) Show SMILES OC(=O)c1cc(ccc1N1CC[C@H](C1)Oc1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4NO3/c19-12-2-4-13(5-3-12)26-14-7-8-23(10-14)16-6-1-11(18(20,21)22)9-15(16)17(24)25/h1-6,9,14H,7-8,10H2,(H,24,25)/t14-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372758 (CHEMBL269960) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CN(Cc2ccccc2)C1=O Show InChI InChI=1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,22H,2,5-6,9-10,15-16H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Fascin (Homo sapiens (human))	BDBM50526241 (CHEMBL4461540) Show SMILES Clc1ccc(Cn2cc(C(=O)Nc3ccncc3)c3n(ncc3c2=O)C2CCS(=O)(=O)C2)cc1Cl Show InChI InChI=1S/C23H19Cl2N5O4S/c24-19-2-1-14(9-20(19)25)11-29-12-18(22(31)28-15-3-6-26-7-4-15)21-17(23(29)32)10-27-30(21)16-5-8-35(33,34)13-16/h1-4,6-7,9-10,12,16H,5,8,11,13H2,(H,26,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
CRUK Beatson Institute Curated by ChEMBL					Assay Description Inhibition of human (His8)2-tagged fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS assessed as reduction in F-actin bundling...				Bioorg Med Chem Lett 29: 1023-1029 (2019) Article DOI: 10.1016/j.bmcl.2019.01.035 BindingDB Entry DOI: 10.7270/Q2XG9VK6
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444139 (CHEMBL3093395) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1cncc(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C18H16F4N2O3/c19-13-5-11(7-23-8-13)10-27-14-3-4-24(9-14)16-2-1-12(18(20,21)22)6-15(16)17(25)26/h1-2,5-8,14H,3-4,9-10H2,(H,25,26)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human endothelial lipase using HDL as substrate assessed as release of free fatty acids preincubated for 30 mins followed by substrate ...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444143 (CHEMBL3093391) Show SMILES CCCCO[C@H]1CCN(C1)c1ccc(cc1C(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C16H20F3NO3/c1-2-3-8-23-12-6-7-20(10-12)14-5-4-11(16(17,18)19)9-13(14)15(21)22/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,21,22)/t12-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	366	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444152 (CHEMBL3093305) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C18H14F6N2O3/c19-17(20,21)10-1-3-14(13(7-10)16(27)28)26-6-5-12(9-26)29-15-4-2-11(8-25-15)18(22,23)24/h1-4,7-8,12H,5-6,9H2,(H,27,28)/t12-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444146 (CHEMBL3093398) Show SMILES CCOCCO[C@H]1CCN(C1)c1ccc(cc1C(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C16H20F3NO4/c1-2-23-7-8-24-12-5-6-20(10-12)14-4-3-11(16(17,18)19)9-13(14)15(21)22/h3-4,9,12H,2,5-8,10H2,1H3,(H,21,22)/t12-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	499	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372755 (CHEMBL255828) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)OC(Cc2ccccc2)C1=O Show InChI InChI=1S/C24H25NO4/c26-22-20(15-16-7-3-1-4-8-16)29-24(28)21(22)23(27)25-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,20-21H,2,5-6,9-10,15H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Fascin (Homo sapiens (human))	BDBM50526227 (CHEMBL4574198) Show SMILES Cn1cc(NC(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cnc(cc23)N2CCCCC2)cn1 Show InChI InChI=1S/C25H24Cl2N6O2/c1-31-14-17(11-29-31)30-24(34)20-15-33(13-16-5-6-21(26)22(27)9-16)25(35)19-12-28-23(10-18(19)20)32-7-3-2-4-8-32/h5-6,9-12,14-15H,2-4,7-8,13H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
CRUK Beatson Institute Curated by ChEMBL					Assay Description Inhibition of human (His8)2-tagged fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS assessed as reduction in F-actin bundling...				Bioorg Med Chem Lett 29: 1023-1029 (2019) Article DOI: 10.1016/j.bmcl.2019.01.035 BindingDB Entry DOI: 10.7270/Q2XG9VK6
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444142 (CHEMBL3093399) Show SMILES COCCOCCO[C@H]1CCN(C1)c1ccc(cc1C(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C17H22F3NO5/c1-24-6-7-25-8-9-26-13-4-5-21(11-13)15-3-2-12(17(18,19)20)10-14(15)16(22)23/h2-3,10,13H,4-9,11H2,1H3,(H,22,23)/t13-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	551	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444160 (CHEMBL3093397) Show SMILES OCCO[C@H]1CCN(C1)c1ccc(cc1C(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C14H16F3NO4/c15-14(16,17)9-1-2-12(11(7-9)13(20)21)18-4-3-10(8-18)22-6-5-19/h1-2,7,10,19H,3-6,8H2,(H,20,21)/t10-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Fascin (Homo sapiens (human))	BDBM50526240 (CHEMBL4566108) Show SMILES Cn1cc(NC(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cnn(C4CCS(=O)(=O)C4)c23)cn1 Show InChI InChI=1S/C22H20Cl2N6O4S/c1-28-10-14(7-25-28)27-21(31)17-11-29(9-13-2-3-18(23)19(24)6-13)22(32)16-8-26-30(20(16)17)15-4-5-35(33,34)12-15/h2-3,6-8,10-11,15H,4-5,9,12H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
CRUK Beatson Institute Curated by ChEMBL					Assay Description Inhibition of human (His8)2-tagged fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS assessed as reduction in F-actin bundling...				Bioorg Med Chem Lett 29: 1023-1029 (2019) Article DOI: 10.1016/j.bmcl.2019.01.035 BindingDB Entry DOI: 10.7270/Q2XG9VK6
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372768 (CHEMBL272696) Show SMILES O=C(Nc1ccc(cc1)-n1ccnc1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C22H20N4O3/c27-19-13-17(12-15-4-2-1-3-5-15)25-22(29)20(19)21(28)24-16-6-8-18(9-7-16)26-11-10-23-14-26/h1-11,14,17,20H,12-13H2,(H,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Fascin (Homo sapiens (human))	BDBM50526226 (CHEMBL4559691) Show SMILES Cn1cc(NC(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cnc(cc23)N2CCNCC2)cn1 Show InChI InChI=1S/C24H23Cl2N7O2/c1-31-13-16(10-29-31)30-23(34)19-14-33(12-15-2-3-20(25)21(26)8-15)24(35)18-11-28-22(9-17(18)19)32-6-4-27-5-7-32/h2-3,8-11,13-14,27H,4-7,12H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
CRUK Beatson Institute Curated by ChEMBL					Assay Description Inhibition of human (His8)2-tagged fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS assessed as reduction in F-actin bundling...				Bioorg Med Chem Lett 29: 1023-1029 (2019) Article DOI: 10.1016/j.bmcl.2019.01.035 BindingDB Entry DOI: 10.7270/Q2XG9VK6
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50444159 (CHEMBL3093400) Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCCN1CCOCC1)C(F)(F)F |r| Show InChI InChI=1S/C18H23F3N2O4/c19-18(20,21)13-1-2-16(15(11-13)17(24)25)23-4-3-14(12-23)27-10-7-22-5-8-26-9-6-22/h1-2,11,14H,3-10,12H2,(H,24,25)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	659	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...				Bioorg Med Chem 21: 7724-34 (2013) Article DOI: 10.1016/j.bmc.2013.10.023 BindingDB Entry DOI: 10.7270/Q2P55PZ8
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372759 (CHEMBL256476) Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)C1C(=O)NC(CCc2ccccc2)C1=O Show InChI InChI=1S/C24H27N3O3/c28-22-20(14-9-17-7-3-1-4-8-17)26-24(30)21(22)23(29)25-18-10-12-19(13-11-18)27-15-5-2-6-16-27/h1,3-4,7-8,10-13,20-21H,2,5-6,9,14-16H2,(H,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair

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