Compile Data Set for Download or QSAR

Found 275 hits with Last Name = 'leppänen' and Initial = 'j'   

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
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315227 (CHEMBL1091204 | Isopropyl-3-chloro-5,6-dihydroxy-7...) Show SMILES CC(C)OC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C12H10ClNO6S/c1-4(2)20-12(17)11-7(13)5-3-6(15)9(16)8(14(18)19)10(5)21-11/h3-4,15-16H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315228 (Butyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thioph...) Show SMILES CCCCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C13H12ClNO6S/c1-2-3-4-21-13(18)12-8(14)6-5-7(16)10(17)9(15(19)20)11(6)22-12/h5,16-17H,2-4H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315220 ((2-oxo-1,3-dioxol-4-yl)methyl 3-chloro-5,6-dihydro...) Show SMILES Oc1cc2c(Cl)c(sc2c(c1O)[N+]([O-])=O)C(=O)OCc1coc(=O)o1 Show InChI InChI=1S/C13H6ClNO9S/c14-7-5-1-6(16)9(17)8(15(20)21)10(5)25-11(7)12(18)22-2-4-3-23-13(19)24-4/h1,3,16-17H,2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315230 (CHEMBL1089504 | Methyl-3-chloro-5,6-dihydroxy-7-ni...) Show SMILES COC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C10H6ClNO6S/c1-18-10(15)9-5(11)3-2-4(13)7(14)6(12(16)17)8(3)19-9/h2,13-14H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315221 ((2-amino-3-methylbutanoyloxy)methyl 3-chloro-5,6-d...) Show SMILES CC(C)C(N)C(=O)OCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C15H15ClN2O8S/c1-5(2)9(17)14(21)25-4-26-15(22)13-8(16)6-3-7(19)11(20)10(18(23)24)12(6)27-13/h3,5,9,19-20H,4,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315229 (CHEMBL1089505 | Propyl-3-chloro-5,6-dihydroxy-7-ni...) Show SMILES CCCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C12H10ClNO6S/c1-2-3-20-12(17)11-7(13)5-4-6(15)9(16)8(14(18)19)10(5)21-11/h4,15-16H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315226 (Benzyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiop...) Show SMILES Oc1cc2c(Cl)c(sc2c(c1O)[N+]([O-])=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C16H10ClNO6S/c17-11-9-6-10(19)13(20)12(18(22)23)14(9)25-15(11)16(21)24-7-8-4-2-1-3-5-8/h1-6,19-20H,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315223 (Butyryloxymethyl-3-chloro-5,6-dihydroxy-7-nitroben...) Show SMILES CCCC(=O)OCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C14H12ClNO8S/c1-2-3-8(18)23-5-24-14(20)13-9(15)6-4-7(17)11(19)10(16(21)22)12(6)25-13/h4,17,19H,2-3,5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315222 (1-(Butyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-nitro...) Show SMILES CCCC(=O)OC(C)OC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C15H14ClNO8S/c1-3-4-9(19)24-6(2)25-15(21)14-10(16)7-5-8(18)12(20)11(17(22)23)13(7)26-14/h5-6,18,20H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315225 (CHEMBL1089537 | Isobutyryloxymethyl-3-chloro-5,6-d...) Show SMILES CC(C)C(=O)OCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C14H12ClNO8S/c1-5(2)13(19)23-4-24-14(20)12-8(15)6-3-7(17)10(18)9(16(21)22)11(6)25-12/h3,5,17-18H,4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50315224 (1-(Isobutyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-ni...) Show SMILES CC(C)C(=O)OC(C)OC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O Show InChI InChI=1S/C15H14ClNO8S/c1-5(2)14(20)24-6(3)25-15(21)13-9(16)7-4-8(18)11(19)10(17(22)23)12(7)26-13/h4-6,18-19H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50358746 (CHEMBL596015) Show SMILES O=Cc1csc2ccccc12 Show InChI InChI=1S/C9H6OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Irreversible inhibition of CYP2A6 in human liver microsomes assessed as coumarin 7-hydroxylation activity by double reciprocal plot analysis in prese...				Bioorg Med Chem 19: 7186-93 (2011) Article DOI: 10.1016/j.bmc.2011.09.054 BindingDB Entry DOI: 10.7270/Q25H7GPR
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295654 (CHEMBL559034 | Dodecylcarbamic acid 3-(1,2,3-thiad...) Show SMILES CCCCCCCCCCCCNC(=O)Oc1cccc(c1)-c1csnn1 Show InChI InChI=1S/C21H31N3O2S/c1-2-3-4-5-6-7-8-9-10-11-15-22-21(25)26-19-14-12-13-18(16-19)20-17-27-24-23-20/h12-14,16-17H,2-11,15H2,1H3,(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM26739 (3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...) Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295649 (3-Methoxy-4-(hexylcarbamoyloxy)benzoic acid methyl...) Show SMILES CCCCCCNC(=O)Oc1ccc(cc1OC)C(=O)OC Show InChI InChI=1S/C16H23NO5/c1-4-5-6-7-10-17-16(19)22-13-9-8-12(15(18)21-3)11-14(13)20-2/h8-9,11H,4-7,10H2,1-3H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295660 (CHEMBL557234 | Dodecylcarbamic acid 4-(4,5-dihydro...) Show SMILES CCCCCCCCCCCCNC(=O)Oc1ccc(cc1)C1=NCCS1 |t:23| Show InChI InChI=1S/C22H34N2O2S/c1-2-3-4-5-6-7-8-9-10-11-16-24-22(25)26-20-14-12-19(13-15-20)21-23-17-18-27-21/h12-15H,2-11,16-18H2,1H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295652 (CHEMBL551594 | n-Butylcarbamic acid 3-(1,2,3-thiad...) Show SMILES CCCCNC(=O)Oc1cccc(c1)-c1csnn1 Show InChI InChI=1S/C13H15N3O2S/c1-2-3-7-14-13(17)18-11-6-4-5-10(8-11)12-9-19-16-15-12/h4-6,8-9H,2-3,7H2,1H3,(H,14,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295659 (CHEMBL560119 | n-Hexylcarbamic acid 4-(4,5-dihydro...) Show SMILES CCCCCCNC(=O)Oc1ccc(cc1)C1=NCCS1 |t:17| Show InChI InChI=1S/C16H22N2O2S/c1-2-3-4-5-10-18-16(19)20-14-8-6-13(7-9-14)15-17-11-12-21-15/h6-9H,2-5,10-12H2,1H3,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295656 (CHEMBL569368 | dodecylcarbamic acid 4-(1,2,3-thiad...) Show SMILES CCCCCCCCCCCCNC(=O)Oc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C21H31N3O2S/c1-2-3-4-5-6-7-8-9-10-11-16-22-21(25)26-19-14-12-18(13-15-19)20-17-27-24-23-20/h12-15,17H,2-11,16H2,1H3,(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295682 (4-(1,2,3-thiadiazol-4-yl)phenyl hexylcarbamate | C...) Show SMILES CCCCCCNC(=O)Oc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C15H19N3O2S/c1-2-3-4-5-10-16-15(19)20-13-8-6-12(7-9-13)14-11-21-18-17-14/h6-9,11H,2-5,10H2,1H3,(H,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295683 (CHEMBL557505 | Cyclopentylcarbamic acid 4-(1,2,3-t...) Show SMILES O=C(NC1CCCC1)Oc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C14H15N3O2S/c18-14(15-11-3-1-2-4-11)19-12-7-5-10(6-8-12)13-9-20-17-16-13/h5-9,11H,1-4H2,(H,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295684 (CHEMBL551719 | Cyclohexylcarbamic acid 4-(1,2,3-th...) Show SMILES O=C(NC1CCCCC1)Oc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C15H17N3O2S/c19-15(16-12-4-2-1-3-5-12)20-13-8-6-11(7-9-13)14-10-21-18-17-14/h6-10,12H,1-5H2,(H,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295651 (3-Iodo-4-(hexylcarbamoyloxy)benzoic acid methyl es...) Show SMILES CCCCCCNC(=O)Oc1ccc(cc1I)C(=O)OC Show InChI InChI=1S/C15H20INO4/c1-3-4-5-6-9-17-15(19)21-13-8-7-11(10-12(13)16)14(18)20-2/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295680 ((2-Methyl)-benzylcarbamic acid 4-(4,5-dihydrooxazo...) Show SMILES Cc1ccccc1CNC(=O)Oc1ccc(cc1)C1=NCCO1 |t:20| Show InChI InChI=1S/C18H18N2O3/c1-13-4-2-3-5-15(13)12-20-18(21)23-16-8-6-14(7-9-16)17-19-10-11-22-17/h2-9H,10-12H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295677 (CHEMBL557100 | Phenethylcarbamic acid 4-(4,5-dihyd...) Show SMILES O=C(NCCc1ccccc1)Oc1ccc(cc1)C1=NCCS1 |t:20| Show InChI InChI=1S/C18H18N2O2S/c21-18(20-11-10-14-4-2-1-3-5-14)22-16-8-6-15(7-9-16)17-19-12-13-23-17/h1-9H,10-13H2,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295661 (Benzylcarbamic acid 4-(1,2,3-thiadiazol-4-yl)pheny...) Show SMILES O=C(NCc1ccccc1)Oc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C16H13N3O2S/c20-16(17-10-12-4-2-1-3-5-12)21-14-8-6-13(7-9-14)15-11-22-19-18-15/h1-9,11H,10H2,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50358746 (CHEMBL596015) Show SMILES O=Cc1csc2ccccc12 Show InChI InChI=1S/C9H6OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 30 mins preincubation by plate reader				Bioorg Med Chem 19: 7186-93 (2011) Article DOI: 10.1016/j.bmc.2011.09.054 BindingDB Entry DOI: 10.7270/Q25H7GPR
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295653 (CHEMBL541753 | Dodecylcarbamic acid 2-(1,2,3-thiad...) Show SMILES CCCCCCCCCCCCNC(=O)Oc1ccccc1-c1csnn1 Show InChI InChI=1S/C21H31N3O2S/c1-2-3-4-5-6-7-8-9-10-13-16-22-21(25)26-20-15-12-11-14-18(20)19-17-27-24-23-19/h11-12,14-15,17H,2-10,13,16H2,1H3,(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295650 (3-methyl-4-(hexylcarbamoyloxy)benzoic acid methyl ...) Show SMILES CCCCCCNC(=O)Oc1ccc(cc1C)C(=O)OC Show InChI InChI=1S/C16H23NO4/c1-4-5-6-7-10-17-16(19)21-14-9-8-13(11-12(14)2)15(18)20-3/h8-9,11H,4-7,10H2,1-3H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295674 ((2-Methyl)-benzylcarbamic acid 4-(4,5-dihydrothiaz...) Show SMILES Cc1ccccc1CNC(=O)Oc1ccc(cc1)C1=NCCS1 |t:20| Show InChI InChI=1S/C18H18N2O2S/c1-13-4-2-3-5-15(13)12-20-18(21)22-16-8-6-14(7-9-16)17-19-10-11-23-17/h2-9H,10-12H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295656 (CHEMBL569368 | dodecylcarbamic acid 4-(1,2,3-thiad...) Show SMILES CCCCCCCCCCCCNC(=O)Oc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C21H31N3O2S/c1-2-3-4-5-6-7-8-9-10-11-16-22-21(25)26-19-14-12-18(13-15-19)20-17-27-24-23-20/h12-15,17H,2-11,16H2,1H3,(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH-mediated hydrolysis of [3H]anadamide in rat RBL2H3 cells				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50342656 (CHEMBL1770735 | benzo[b]thiophen-2-ylmethanamine) Show SMILES NCc1cc2ccccc2s1 Show InChI InChI=1S/C9H9NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 10 mins by plate reader				Bioorg Med Chem 19: 7186-93 (2011) Article DOI: 10.1016/j.bmc.2011.09.054 BindingDB Entry DOI: 10.7270/Q25H7GPR
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295672 (CHEMBL562258 | Cyclohexylcarbamic acid 4-(4,5-dihy...) Show SMILES O=C(NC1CCCCC1)Oc1ccc(cc1)C1=NCCS1 |t:18| Show InChI InChI=1S/C16H20N2O2S/c19-16(18-13-4-2-1-3-5-13)20-14-8-6-12(7-9-14)15-17-10-11-21-15/h6-9,13H,1-5,10-11H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295679 (CHEMBL539098 | Cyclopentylcarbamic acid 4-(4,5-dih...) Show SMILES O=C(NC1CCCC1)Oc1ccc(cc1)C1=NCCO1 |t:17| Show InChI InChI=1S/C15H18N2O3/c18-15(17-12-3-1-2-4-12)20-13-7-5-11(6-8-13)14-16-9-10-19-14/h5-8,12H,1-4,9-10H2,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295678 (CHEMBL562182 | n-Butylcarbamic acid 4-(4,5-dihydro...) Show SMILES CCCCNC(=O)Oc1ccc(cc1)C1=NCCO1 |t:15| Show InChI InChI=1S/C14H18N2O3/c1-2-3-8-16-14(17)19-12-6-4-11(5-7-12)13-15-9-10-18-13/h4-7H,2-3,8-10H2,1H3,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295671 (CHEMBL555973 | Cyclopentylcarbamic acid 4-(4,5-dih...) Show SMILES O=C(NC1CCCC1)Oc1ccc(cc1)C1=NCCS1 |t:17| Show InChI InChI=1S/C15H18N2O2S/c18-15(17-12-3-1-2-4-12)19-13-7-5-11(6-8-13)14-16-9-10-20-14/h5-8,12H,1-4,9-10H2,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM60419 (BDBM50295658 | NAM) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCN1C(=O)C=CC1=O |c:23| Show InChI InChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(26)20-21-24(25)27/h6-7,9-10,12-13,15-16,20-21H,2-5,8,11,14,17-19,22H2,1H3/b7-6-,10-9-,13-12-,16-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of human recombinant MGL by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295657 (4-(1,2,3-thiadiazol-4-yl)phenyl butylcarbamate | C...) Show SMILES CCCCNC(=O)Oc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C13H15N3O2S/c1-2-3-8-14-13(17)18-11-6-4-10(5-7-11)12-9-19-16-15-12/h4-7,9H,2-3,8H2,1H3,(H,14,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257407 (CHEMBL504310 | His-Lys-Lys(epsilon-thioAc)Ala-Met) Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C28H49N9O6S2/c1-17(24(38)37-23(28(42)43)10-13-45-3)34-26(40)21(9-5-7-12-32-18(2)44)36-27(41)22(8-4-6-11-29)35-25(39)20(30)14-19-15-31-16-33-19/h15-17,20-23H,4-14,29-30H2,1-3H3,(H,31,33)(H,32,44)(H,34,40)(H,35,39)(H,36,41)(H,37,38)(H,42,43)/t17-,20-,21-,22-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257289 (CHEMBL505399 | Ser-Lys-Lys(epsilon-thioAc)Thr-Ile) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C27H51N7O8S/c1-5-15(2)21(27(41)42)33-26(40)22(16(3)36)34-25(39)20(11-7-9-13-30-17(4)43)32-24(38)19(10-6-8-12-28)31-23(37)18(29)14-35/h15-16,18-22,35-36H,5-14,28-29H2,1-4H3,(H,30,43)(H,31,37)(H,32,38)(H,33,40)(H,34,39)(H,41,42)/t15-,16+,18-,19-,20-,21-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295681 ((4-Methyl)-benzylcarbamic acid 4-(4,5-dihydrooxazo...) Show SMILES Cc1ccc(CNC(=O)Oc2ccc(cc2)C2=NCCO2)cc1 |t:17| Show InChI InChI=1S/C18H18N2O3/c1-13-2-4-14(5-3-13)12-20-18(21)23-16-8-6-15(7-9-16)17-19-10-11-22-17/h2-9H,10-12H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50358752 (CHEMBL1922273) Show SMILES NCc1csc2ccccc12 Show InChI InChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 30 mins preincubation by plate reader				Bioorg Med Chem 19: 7186-93 (2011) Article DOI: 10.1016/j.bmc.2011.09.054 BindingDB Entry DOI: 10.7270/Q25H7GPR
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257348 (CHEMBL492925 | Ser-Ala-Lys(epsilon-thioAc)Thr-Ile) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C24H44N6O8S/c1-6-12(2)18(24(37)38)29-23(36)19(14(4)32)30-22(35)17(9-7-8-10-26-15(5)39)28-20(33)13(3)27-21(34)16(25)11-31/h12-14,16-19,31-32H,6-11,25H2,1-5H3,(H,26,39)(H,27,34)(H,28,33)(H,29,36)(H,30,35)(H,37,38)/t12-,13-,14+,16-,17-,18-,19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257345 (CHEMBL510904 | His-Lys-Lys(epsilon-thioAc)Thr-Ile) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C30H53N9O7S/c1-5-17(2)24(30(45)46)38-29(44)25(18(3)40)39-28(43)23(11-7-9-13-34-19(4)47)37-27(42)22(10-6-8-12-31)36-26(41)21(32)14-20-15-33-16-35-20/h15-18,21-25,40H,5-14,31-32H2,1-4H3,(H,33,35)(H,34,47)(H,36,41)(H,37,42)(H,38,44)(H,39,43)(H,45,46)/t17-,18+,21-,22-,23-,24-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50326778 ((S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-ethane...) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C16H28N4O5S/c1-9(18-11(3)21)14(22)20-13(7-5-6-8-17-12(4)26)15(23)19-10(2)16(24)25/h9-10,13H,5-8H2,1-4H3,(H,17,26)(H,18,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of GST-SIRT1 after 1 hr by Fluor de Lys fluorescence assay				Bioorg Med Chem 18: 5616-25 (2010) Article DOI: 10.1016/j.bmc.2010.06.035 BindingDB Entry DOI: 10.7270/Q2GT5NDC
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50326778 ((S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-ethane...) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C16H28N4O5S/c1-9(18-11(3)21)14(22)20-13(7-5-6-8-17-12(4)26)15(23)19-10(2)16(24)25/h9-10,13H,5-8H2,1-4H3,(H,17,26)(H,18,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of SIRT1				Bioorg Med Chem Lett 17: 2448-51 (2007) Article DOI: 10.1016/j.bmcl.2007.02.023 BindingDB Entry DOI: 10.7270/Q2CR5V53
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295675 ((4-Methyl)-benzylcarbamic acid 4-(4,5-dihydrothiaz...) Show SMILES Cc1ccc(CNC(=O)Oc2ccc(cc2)C2=NCCS2)cc1 |t:17| Show InChI InChI=1S/C18H18N2O2S/c1-13-2-4-14(5-3-13)12-20-18(21)22-16-8-6-15(7-9-16)17-19-10-11-23-17/h2-9H,10-12H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50295673 (Benzylcarbamic acid 4-(4,5-dihydrothiazol-2-yl)phe...) Show SMILES O=C(NCc1ccccc1)Oc1ccc(cc1)C1=NCCS1 |t:19| Show InChI InChI=1S/C17H16N2O2S/c20-17(19-12-13-4-2-1-3-5-13)21-15-8-6-14(7-9-15)16-18-10-11-22-16/h1-9H,10-12H2,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting				Eur J Med Chem 44: 2994-3008 (2009) Article DOI: 10.1016/j.ejmech.2009.01.007 BindingDB Entry DOI: 10.7270/Q2VT1S5S
					More data for this Ligand-Target Pair

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