Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 4628   

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
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM81363 (Pristimerin) Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=c5c(cc(O)c(O)c5=C)[C@]4(C)CC[C@@]3(C)C2C1 |r,c:16,t:14| Show InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,31-32H,1,10-15,17H2,2-7H3/t23?,26-,27-,28+,29-,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	37
University of California Irvine					Assay Description Purified recombinant rat MGL was prepared and enzyme activity was assayed.				Chem Biol 16: 1045-52 (2009) Article DOI: 10.1016/j.chembiol.2009.09.012 BindingDB Entry DOI: 10.7270/Q2HH6HJ3
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	37
University of California Irvine					Assay Description Purified recombinant rat MGL was prepared and enzyme activity was assayed.				Chem Biol 16: 1045-52 (2009) Article DOI: 10.1016/j.chembiol.2009.09.012 BindingDB Entry DOI: 10.7270/Q2HH6HJ3
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM81364 (Pristimerol) Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(C)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)C2C1 |r,t:14| Show InChI InChI=1S/C30H42O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h9,16,23,31-32H,8,10-15,17H2,1-7H3/t23?,26-,27-,28+,29-,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	37
University of California Irvine					Assay Description Purified recombinant rat MGL was prepared and enzyme activity was assayed.				Chem Biol 16: 1045-52 (2009) Article DOI: 10.1016/j.chembiol.2009.09.012 BindingDB Entry DOI: 10.7270/Q2HH6HJ3
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM81365 (Dihydrocelastrol) Show SMILES Cc1c(O)c(O)cc2c1CC=C1[C@@]2(C)CC[C@@]2(C)C3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r,c:11| Show InChI InChI=1S/C29H40O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h8,15,22,30-31H,7,9-14,16H2,1-6H3,(H,32,33)/t22?,25-,26-,27+,28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	37
University of California Irvine					Assay Description Purified recombinant rat MGL was prepared and enzyme activity was assayed.				Chem Biol 16: 1045-52 (2009) Article DOI: 10.1016/j.chembiol.2009.09.012 BindingDB Entry DOI: 10.7270/Q2HH6HJ3
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM81366 (Dihydrocelastryl diacetate) Show SMILES CC(=O)Oc1cc2c(CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@@](C)(CC[C@]4(C)CC[C@]32C)C(O)=O)c(C)c1OC(C)=O |r,c:9| Show InChI InChI=1S/C33H44O6/c1-19-22-9-10-25-31(6,23(22)17-24(38-20(2)34)27(19)39-21(3)35)14-16-33(8)26-18-30(5,28(36)37)12-11-29(26,4)13-15-32(25,33)7/h10,17,26H,9,11-16,18H2,1-8H3,(H,36,37)/t26-,29-,30-,31+,32-,33+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	37
University of California Irvine					Assay Description Purified recombinant rat MGL was prepared and enzyme activity was assayed.				Chem Biol 16: 1045-52 (2009) Article DOI: 10.1016/j.chembiol.2009.09.012 BindingDB Entry DOI: 10.7270/Q2HH6HJ3
					More data for this Ligand-Target Pair