Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'LIP1, secretory lipase (Family 3)'   

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
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112883 (CHEMBL3609530) Show SMILES O=C1N(CCSC(=S)N2CCCCCC2)Cc2ccccc12 Show InChI InChI=1S/C17H22N2OS2/c20-16-15-8-4-3-7-14(15)13-19(16)11-12-22-17(21)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-13H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 incubated for 1 hr using monoolein substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.005 BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112883 (CHEMBL3609530) Show SMILES O=C1N(CCSC(=S)N2CCCCCC2)Cc2ccccc12 Show InChI InChI=1S/C17H22N2OS2/c20-16-15-8-4-3-7-14(15)13-19(16)11-12-22-17(21)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-13H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPA substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.005 BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112886 (CHEMBL3609533) Show SMILES O=C1N(CCSC(=S)N2CCCC2)Cc2ccccc12 Show InChI InChI=1S/C15H18N2OS2/c18-14-13-6-2-1-5-12(13)11-17(14)9-10-20-15(19)16-7-3-4-8-16/h1-2,5-6H,3-4,7-11H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPC substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.005 BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112883 (CHEMBL3609530) Show SMILES O=C1N(CCSC(=S)N2CCCCCC2)Cc2ccccc12 Show InChI InChI=1S/C17H22N2OS2/c20-16-15-8-4-3-7-14(15)13-19(16)11-12-22-17(21)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-13H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPC substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.005 BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112867 (CHEMBL3609534) Show SMILES O=C1N(CCSC(=S)N2CCCCCC2)C(=O)c2ccccc12 Show InChI InChI=1S/C17H20N2O2S2/c20-15-13-7-3-4-8-14(13)16(21)19(15)11-12-23-17(22)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-12H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPC substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.005 BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50240877 (CHEMBL158897 | Quinolyl derivatives | cyclohexanon...) Show SMILES O=[#6](-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C20H34N4O4/c25-19(27-23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)28-24-18-13-7-4-8-14-18/h1-16H2,(H,21,25)(H,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPA substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.005 BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112884 (CHEMBL3609531) Show SMILES Cc1ccc(cc1)C(=O)Oc1ccc2ccc(O)cc2c1 Show InChI InChI=1S/C18H14O3/c1-12-2-4-14(5-3-12)18(20)21-17-9-7-13-6-8-16(19)10-15(13)11-17/h2-11,19H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPA substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.005 BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112885 (CHEMBL3609532) Show SMILES OC(=O)c1ccc(=S)n(CC(=O)c2ccccc2)c1 Show InChI InChI=1S/C14H11NO3S/c16-12(10-4-2-1-3-5-10)9-15-8-11(14(17)18)6-7-13(15)19/h1-8H,9H2,(H,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPA substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.005 BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112882 (CHEMBL1548385) Show SMILES O=C1N(CCSC(=S)N2CCOCC2)Cc2ccccc12 Show InChI InChI=1S/C15H18N2O2S2/c18-14-13-4-2-1-3-12(13)11-17(14)7-10-21-15(20)16-5-8-19-9-6-16/h1-4H,5-11H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPC substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.005 BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112881 (CHEMBL1569345) Show SMILES O=C1N(CCSC(=S)N2CCOCC2)C(=O)c2ccccc12 Show InChI InChI=1S/C15H16N2O3S2/c18-13-11-3-1-2-4-12(11)14(19)17(13)7-10-22-15(21)16-5-8-20-9-6-16/h1-4H,5-10H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPC substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.005 BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112880 (CHEMBL3609535) Show SMILES O=C1N(CCSC(=S)N2CCCC2)C(=O)c2ccccc12 Show InChI InChI=1S/C15H16N2O2S2/c18-13-11-5-1-2-6-12(11)14(19)17(13)9-10-21-15(20)16-7-3-4-8-16/h1-2,5-6H,3-4,7-10H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPC substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.005 BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair