Compile Data Set for Download or QSAR

Found 12 hits of ic50 data for polymerid = 50001484   

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
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50318690 (4-Piperidinyl-1,2,5-thiadiazolyl-3-morpholine carb...) Show SMILES O=C(Oc1nsnc1N1CCCCC1)N1CCOCC1 Show InChI InChI=1S/C12H18N4O3S/c17-12(16-6-8-18-9-7-16)19-11-10(13-20-14-11)15-4-2-1-3-5-15/h1-9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human LAL after 30 mins by fluorescence assay				J Med Chem 53: 5281-9 (2010) Article DOI: 10.1021/jm100499s BindingDB Entry DOI: 10.7270/Q2FB53XB
					More data for this Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50318691 (4-(Piperidin-1-yl)-1,2,5-thiadiazol-3-yl piperidin...) Show SMILES O=C(Oc1nsnc1N1CCCCC1)N1CCCCC1 Show InChI InChI=1S/C13H20N4O2S/c18-13(17-9-5-2-6-10-17)19-12-11(14-20-15-12)16-7-3-1-4-8-16/h1-10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human LAL after 30 mins by fluorescence assay				J Med Chem 53: 5281-9 (2010) Article DOI: 10.1021/jm100499s BindingDB Entry DOI: 10.7270/Q2FB53XB
					More data for this Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50318686 (4-(Azepan-1-yl)-1,2,5-thiadiazol-3-yl morpholine-4...) Show SMILES O=C(Oc1nsnc1N1CCCCCC1)N1CCOCC1 Show InChI InChI=1S/C13H20N4O3S/c18-13(17-7-9-19-10-8-17)20-12-11(14-21-15-12)16-5-3-1-2-4-6-16/h1-10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human LAL after 30 mins by fluorescence assay				J Med Chem 53: 5281-9 (2010) Article DOI: 10.1021/jm100499s BindingDB Entry DOI: 10.7270/Q2FB53XB
					More data for this Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50318687 (4-(Azepan-1-yl)-1,2,5-thiadiazol-3-yl piperidine-1...) Show SMILES O=C(Oc1nsnc1N1CCCCCC1)N1CCCCC1 Show InChI InChI=1S/C14H22N4O2S/c19-14(18-10-6-3-7-11-18)20-13-12(15-21-16-13)17-8-4-1-2-5-9-17/h1-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human LAL after 30 mins by fluorescence assay				J Med Chem 53: 5281-9 (2010) Article DOI: 10.1021/jm100499s BindingDB Entry DOI: 10.7270/Q2FB53XB
					More data for this Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50318689 (4-Morpholino-1,2,5-thiadiazol-3-yl piperidine-1-ca...) Show SMILES O=C(Oc1nsnc1N1CCOCC1)N1CCCCC1 Show InChI InChI=1S/C12H18N4O3S/c17-12(16-4-2-1-3-5-16)19-11-10(13-20-14-11)15-6-8-18-9-7-15/h1-9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	424	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human LAL after 30 mins by fluorescence assay				J Med Chem 53: 5281-9 (2010) Article DOI: 10.1021/jm100499s BindingDB Entry DOI: 10.7270/Q2FB53XB
					More data for this Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50318692 (4-(Pyrrolidin-1-yl)-1,2,5-thiadiazol-3-yl morpholi...) Show SMILES O=C(Oc1nsnc1N1CCCC1)N1CCOCC1 Show InChI InChI=1S/C11H16N4O3S/c16-11(15-5-7-17-8-6-15)18-10-9(12-19-13-10)14-3-1-2-4-14/h1-8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	473	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human LAL after 30 mins by fluorescence assay				J Med Chem 53: 5281-9 (2010) Article DOI: 10.1021/jm100499s BindingDB Entry DOI: 10.7270/Q2FB53XB
					More data for this Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50318688 (3-N-Morpholinocarbamate-4-morpholino-1,2,5-thiadia...) Show SMILES O=C(Oc1nsnc1N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C11H16N4O4S/c16-11(15-3-7-18-8-4-15)19-10-9(12-20-13-10)14-1-5-17-6-2-14/h1-8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	492	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human LAL after 30 mins by fluorescence assay				J Med Chem 53: 5281-9 (2010) Article DOI: 10.1021/jm100499s BindingDB Entry DOI: 10.7270/Q2FB53XB
					More data for this Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50318693 (4-(Pyrrolidin-1-yl)-1,2,5-thiadiazol-3-yl Piperidi...) Show SMILES O=C(Oc1nsnc1N1CCCC1)N1CCCCC1 Show InChI InChI=1S/C12H18N4O2S/c17-12(16-8-2-1-3-9-16)18-11-10(13-19-14-11)15-6-4-5-7-15/h1-9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	496	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human LAL after 30 mins by fluorescence assay				J Med Chem 53: 5281-9 (2010) Article DOI: 10.1021/jm100499s BindingDB Entry DOI: 10.7270/Q2FB53XB
					More data for this Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50287473 (3,3,4,4,4-Pentafluoro-1-((2S,4aS,8aS)-4a-methyl-de...) Show SMILES C[C@@]12CCCC[C@H]1C[C@@H](CC(=O)C(F)(F)C(F)(F)F)CC2 Show InChI InChI=1S/C15H21F5O/c1-13-6-3-2-4-11(13)8-10(5-7-13)9-12(21)14(16,17)15(18,19)20/h10-11H,2-9H2,1H3/t10-,11-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ancreatic cholesterol esterase using using p-nitrophenylacetate or cholesteryl [1-14C]-oleate as substrates				Bioorg Med Chem Lett 6: 1673-1676 (1996) Article DOI: 10.1016/0960-894X(96)00290-9 BindingDB Entry DOI: 10.7270/Q2H70FSC
					More data for this Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50287472 (1-((S)-10,13-Dimethyl-17-octyl-hexadecahydro-cyclo...) Show SMILES [H][C@@]12CCC(CCCCCCCC)C1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@H](CC(=O)C(F)(F)C(F)(F)F)CCC12C Show InChI InChI=1S/C31H49F5O/c1-4-5-6-7-8-9-10-22-12-14-25-24-13-11-23-19-21(20-27(37)30(32,33)31(34,35)36)15-17-29(23,3)26(24)16-18-28(22,25)2/h21-26H,4-20H2,1-3H3/t21-,22?,23?,24-,25-,26-,28?,29?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ancreatic cholesterol esterase using using p-nitrophenylacetate or cholesteryl [1-14C]-oleate as substrates				Bioorg Med Chem Lett 6: 1673-1676 (1996) Article DOI: 10.1016/0960-894X(96)00290-9 BindingDB Entry DOI: 10.7270/Q2H70FSC
					More data for this Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50287471 (1-(4-tert-Butyl-cyclohexyl)-3,3,4,4,4-pentafluoro-...) Show SMILES CC(C)(C)[C@H]1CC[C@H](CC(=O)C(F)(F)C(F)(F)F)CC1 |wU:7.7,wD:4.3,(5.46,-3.34,;5.46,-4.89,;5.85,-6.38,;6.79,-5.67,;4.12,-5.66,;2.79,-4.88,;1.47,-5.66,;1.47,-7.2,;.13,-7.97,;-1.21,-7.2,;-1.21,-5.66,;-2.54,-7.97,;-3.87,-7.2,;-2.94,-6.48,;-2.54,-9.52,;-3.87,-10.28,;-1.2,-10.28,;-4.03,-9.12,;2.79,-7.97,;4.12,-7.2,)| Show InChI InChI=1S/C14H21F5O/c1-12(2,3)10-6-4-9(5-7-10)8-11(20)13(15,16)14(17,18)19/h9-10H,4-8H2,1-3H3/t9-,10-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ancreatic cholesterol esterase using using p-nitrophenylacetate or cholesteryl [1-14C]-oleate as substrates				Bioorg Med Chem Lett 6: 1673-1676 (1996) Article DOI: 10.1016/0960-894X(96)00290-9 BindingDB Entry DOI: 10.7270/Q2H70FSC
					More data for this Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase (Homo sapiens (Human))	BDBM50287474 (3,3-Difluoro-1-((2S,4aS,8aS)-4a-methyl-decahydro-n...) Show SMILES CCCCCCCCCCCCC(F)(F)C(=O)C[C@H]1CC[C@]2(C)CCCC[C@H]2C1 Show InChI InChI=1S/C26H46F2O/c1-3-4-5-6-7-8-9-10-11-13-18-26(27,28)24(29)21-22-16-19-25(2)17-14-12-15-23(25)20-22/h22-23H,3-21H2,1-2H3/t22-,23-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ancreatic cholesterol esterase using using p-nitrophenylacetate or cholesteryl [1-14C]-oleate as substrates				Bioorg Med Chem Lett 6: 1673-1676 (1996) Article DOI: 10.1016/0960-894X(96)00290-9 BindingDB Entry DOI: 10.7270/Q2H70FSC
					More data for this Ligand-Target Pair