Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'lahtela-kakkonen' and Initial = 'm'   

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
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
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant porcine PREP expressed in Escherichia coli using Suc-Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00399 BindingDB Entry DOI: 10.7270/Q20V8HK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Mus musculus)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50155838 ((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant porcine brain PREP expressed in Escherichia coli assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Sus scrofa)	BDBM50037604 (1-{(S)-2-[(S)-2-(1H-Imidazole-2-carbonyl)-pyrrolid...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ncc[nH]1 Show InChI InChI=1S/C23H28N4O3/c28-20(12-4-9-17-7-2-1-3-8-17)26-15-6-11-19(26)23(30)27-16-5-10-18(27)21(29)22-24-13-14-25-22/h1-3,7-8,13-14,18-19H,4-6,9-12,15-16H2,(H,24,25)/t18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant porcine PREP expressed in Escherichia coli using Suc-Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00399 BindingDB Entry DOI: 10.7270/Q20V8HK3
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50572237 (CHEMBL4862396) Show SMILES O=C(CCCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant porcine PREP expressed in Escherichia coli using Suc-Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00399 BindingDB Entry DOI: 10.7270/Q20V8HK3
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50572235 (CHEMBL4873431) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant porcine PREP expressed in Escherichia coli using Suc-Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00399 BindingDB Entry DOI: 10.7270/Q20V8HK3
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50572234 (CHEMBL4861124) Show SMILES O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant porcine PREP expressed in Escherichia coli using Suc-Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00399 BindingDB Entry DOI: 10.7270/Q20V8HK3
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298655 (3-(4,5-Dihydrooxazol-2-yl)phenyl cyclohexylcarbama...) Show SMILES O=C(NC1CCCCC1)Oc1cccc(c1)C1=NCCO1 |t:18| Show InChI InChI=1S/C16H20N2O3/c19-16(18-13-6-2-1-3-7-13)21-14-8-4-5-12(11-14)15-17-9-10-20-15/h4-5,8,11,13H,1-3,6-7,9-10H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50529486 (CHEMBL4549821) Show SMILES C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H23N3O2/c1-14(18(23)21-12-6-10-16(21)13-19)20-17(22)11-5-9-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-12H2,1H3,(H,20,22)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50529486 (CHEMBL4549821) Show SMILES C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H23N3O2/c1-14(18(23)21-12-6-10-16(21)13-19)20-17(22)11-5-9-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-12H2,1H3,(H,20,22)/t14-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant porcine brain PREP expressed in Escherichia coli assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50529477 (CHEMBL4470147) Show SMILES C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N3O2/c1-15(19(24)22-13-7-11-17(22)14-20)21(2)18(23)12-6-10-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3/t15-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant porcine brain PREP expressed in Escherichia coli assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298666 ((S)-3-(5-Methyl-4,5-dihydrooxazol-2-yl)phenylcyclo...) Show SMILES C[C@H]1CN=C(O1)c1cccc(OC(=O)NC2CCCCC2)c1 |r,c:3| Show InChI InChI=1S/C17H22N2O3/c1-12-11-18-16(21-12)13-6-5-9-15(10-13)22-17(20)19-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,19,20)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298664 ((S)-Methyl 2-(3-(cyclohexylcarbamoyloxy)phenyl)-4,...) Show SMILES COC(=O)[C@@H]1COC(=N1)c1cccc(OC(=O)NC2CCCCC2)c1 |r,c:7| Show InChI InChI=1S/C18H22N2O5/c1-23-17(21)15-11-24-16(20-15)12-6-5-9-14(10-12)25-18(22)19-13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,19,22)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50529479 (CHEMBL4446414) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 |r| Show InChI InChI=1S/C20H26N6O2/c27-18(12-4-9-15-7-2-1-3-8-15)25-13-6-11-17(25)20(28)26-14-5-10-16(26)19-21-23-24-22-19/h1-3,7-8,16-17H,4-6,9-14H2,(H,21,22,23,24)/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant porcine brain PREP expressed in Escherichia coli assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50051539 ((S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolid...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r| Show InChI InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant porcine brain PREP expressed in Escherichia coli assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298654 (3-(4,5-Dihydrooxazol-2-yl)phenyl cyclopentylcarbam...) Show SMILES O=C(NC1CCCC1)Oc1cccc(c1)C1=NCCO1 |t:17| Show InChI InChI=1S/C15H18N2O3/c18-15(17-12-5-1-2-6-12)20-13-7-3-4-11(10-13)14-16-8-9-19-14/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298660 ((R)-3-(4-Methyl-4,5-dihydrooxazol-2-yl)phenylcyclo...) Show SMILES C[C@@H]1COC(=N1)c1cccc(OC(=O)NC2CCCCC2)c1 |r,c:4| Show InChI InChI=1S/C17H22N2O3/c1-12-11-21-16(18-12)13-6-5-9-15(10-13)22-17(20)19-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,19,20)/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298653 (3-(4,5-Dihydrooxazol-2-yl)phenyl propylcarbamate |...) Show SMILES CCCNC(=O)Oc1cccc(c1)C1=NCCO1 |t:14| Show InChI InChI=1S/C13H16N2O3/c1-2-6-15-13(16)18-11-5-3-4-10(9-11)12-14-7-8-17-12/h3-5,9H,2,6-8H2,1H3,(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50572238 (CHEMBL4852321) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1cnc[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant porcine PREP expressed in Escherichia coli using Suc-Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00399 BindingDB Entry DOI: 10.7270/Q20V8HK3
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298657 (3-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)phenylcyclo...) Show SMILES CC1(C)COC(=N1)c1cccc(OC(=O)NC2CCCCC2)c1 |c:5| Show InChI InChI=1S/C18H24N2O3/c1-18(2)12-22-16(20-18)13-7-6-10-15(11-13)23-17(21)19-14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					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))	BDBM50298659 ((S)-3-(4-Methyl-4,5-dihydrooxazol-2-yl)phenylcyclo...) Show SMILES C[C@H]1COC(=N1)c1cccc(OC(=O)NC2CCCCC2)c1 |r,c:4| Show InChI InChI=1S/C17H22N2O3/c1-12-11-21-16(18-12)13-6-5-9-15(10-13)22-17(20)19-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,19,20)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298656 (3-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)phenyl cycl...) Show SMILES CC1(C)COC(=N1)c1cccc(OC(=O)NC2CCCC2)c1 |c:5| Show InChI InChI=1S/C17H22N2O3/c1-17(2)11-21-15(19-17)12-6-5-9-14(10-12)22-16(20)18-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298665 ((R)-3-(5-Methyl-4,5-dihydrooxazol-2-yl)phenylcyclo...) Show SMILES C[C@@H]1CN=C(O1)c1cccc(OC(=O)NC2CCCCC2)c1 |r,c:3| Show InChI InChI=1S/C17H22N2O3/c1-12-11-18-16(21-12)13-6-5-9-15(10-13)22-17(20)19-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,19,20)/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298663 ((R)-Methyl 2-(3-(cyclohexylcarbamoyloxy)phenyl)-4,...) Show SMILES COC(=O)[C@H]1COC(=N1)c1cccc(OC(=O)NC2CCCCC2)c1 |r,c:7| Show InChI InChI=1S/C18H22N2O5/c1-23-17(21)15-11-24-16(20-15)12-6-5-9-14(10-12)25-18(22)19-13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,19,22)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50529474 (CHEMBL4528594) Show SMILES C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r| Show InChI InChI=1S/C18H24N6O2/c1-13(19-16(25)11-5-9-14-7-3-2-4-8-14)18(26)24-12-6-10-15(24)17-20-22-23-21-17/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,19,25)(H,20,21,22,23)/t13-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50572227 (CHEMBL4849453) Show SMILES O=C(CCCc1cccs1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant porcine PREP expressed in Escherichia coli using Suc-Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00399 BindingDB Entry DOI: 10.7270/Q20V8HK3
					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))	BDBM50298658 ((S)-3-(4-Methyl-4,5-dihydrooxazol-2-yl)phenylcyclo...) Show SMILES C[C@H]1COC(=N1)c1cccc(OC(=O)NC2CCCC2)c1 |r,c:4| Show InChI InChI=1S/C16H20N2O3/c1-11-10-20-15(17-11)12-5-4-8-14(9-12)21-16(19)18-13-6-2-3-7-13/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,18,19)/t11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50529474 (CHEMBL4528594) Show SMILES C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r| Show InChI InChI=1S/C18H24N6O2/c1-13(19-16(25)11-5-9-14-7-3-2-4-8-14)18(26)24-12-6-10-15(24)17-20-22-23-21-17/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,19,25)(H,20,21,22,23)/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant porcine brain PREP expressed in Escherichia coli assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50529492 (CHEMBL4529226) Show SMILES C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C17H24N2O2/c1-14(17(21)19-12-5-6-13-19)18-16(20)11-7-10-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,18,20)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant porcine brain PREP expressed in Escherichia coli assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					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
Prolyl endopeptidase (Sus scrofa)	BDBM50529487 (CHEMBL4465322) Show SMILES O=C(CCCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H21N3O2/c18-12-15-9-5-11-20(15)17(22)13-19-16(21)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-11,13H2,(H,19,21)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant porcine brain PREP expressed in Escherichia coli assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					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))	BDBM50439469 (CHEMBL2417696) Show SMILES CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O6S/c1-20(40)30-15-9-8-14-24(27(36)31-17-26(35)22-12-6-3-7-13-22)32-28(37)25-16-23(34)18-33(25)29(38)39-19-21-10-4-2-5-11-21/h2-7,10-13,23-25,34H,8-9,14-19H2,1H3,(H,30,40)(H,31,36)(H,32,37)/t23-,24+,25+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	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 human recombinant GST-tagged SIRT1 using KI177 as substrate preincubated for 5 mins followed by enzyme addition measured after 1 hr by ...				J Med Chem 56: 6681-95 (2013) Article DOI: 10.1021/jm400438k BindingDB Entry DOI: 10.7270/Q2H41SVR
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50529487 (CHEMBL4465322) Show SMILES O=C(CCCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H21N3O2/c18-12-15-9-5-11-20(15)17(22)13-19-16(21)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-11,13H2,(H,19,21)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50529478 (CHEMBL4536787) Show SMILES CN(CC(=O)N1CCC[C@H]1C#N)C(=O)CCCc1ccccc1 |r| Show InChI InChI=1S/C18H23N3O2/c1-20(14-18(23)21-12-6-10-16(21)13-19)17(22)11-5-9-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-12,14H2,1H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant porcine brain PREP expressed in Escherichia coli assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50529483 (CHEMBL4556841) Show SMILES C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C18H26N2O2/c1-15(18(22)20-13-6-7-14-20)19(2)17(21)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	298	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...				ACS Med Chem Lett 10: 1635-1640 (2019) Article DOI: 10.1021/acsmedchemlett.9b00394 BindingDB Entry DOI: 10.7270/Q2542S18
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257239 (CHEMBL447677 | His-Lys-Lys(epsilon-thioAc)-Leu-Met) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)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/C31H55N9O6S2/c1-19(2)15-26(30(44)39-25(31(45)46)11-14-48-4)40-29(43)24(10-6-8-13-35-20(3)47)38-28(42)23(9-5-7-12-32)37-27(41)22(33)16-21-17-34-18-36-21/h17-19,22-26H,5-16,32-33H2,1-4H3,(H,34,36)(H,35,47)(H,37,41)(H,38,42)(H,39,44)(H,40,43)(H,45,46)/t22-,23-,24-,25-,26-/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	310	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))	BDBM50326780 ((S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-ethane...) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=[Se])NC(=O)[C@H](C)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C16H28N4O5Se/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	370	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))	BDBM50355041 (CHEMBL1835301) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1CCCN1C(C)=O)C(O)=O |r| Show InChI InChI=1S/C18H30N4O5S/c1-11(18(26)27)20-16(24)14(7-4-5-9-19-12(2)28)21-17(25)15-8-6-10-22(15)13(3)23/h11,14-15H,4-10H2,1-3H3,(H,19,28)(H,20,24)(H,21,25)(H,26,27)/t11-,14-,15-/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	370	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))	BDBM50355038 (CHEMBL1835296) Show SMILES CNC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C17H31N5O4S/c1-10(15(24)18-5)21-17(26)14(8-6-7-9-19-13(4)27)22-16(25)11(2)20-12(3)23/h10-11,14H,6-9H2,1-5H3,(H,18,24)(H,19,27)(H,20,23)(H,21,26)(H,22,25)/t10-,11-,14-/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	400	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))	BDBM50257287 (CHEMBL492309 | Lys-Lys(epsilon-thioAc)-Leu) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CCCCN)C(O)=O |r| Show InChI InChI=1S/C20H39N5O4S/c1-13(2)12-17(20(28)29)25-19(27)16(9-5-7-11-23-14(3)30)24-18(26)15(22)8-4-6-10-21/h13,15-17H,4-12,21-22H2,1-3H3,(H,23,30)(H,24,26)(H,25,27)(H,28,29)/t15-,16-,17-/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	570	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
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298662 ((R)-3-(4-Benzyl-4,5-dihydrooxazol-2-yl)phenylcyclo...) Show SMILES O=C(NC1CCCCC1)Oc1cccc(c1)C1=N[C@H](Cc2ccccc2)CO1 |r,t:18| Show InChI InChI=1S/C23H26N2O3/c26-23(25-19-11-5-2-6-12-19)28-21-13-7-10-18(15-21)22-24-20(16-27-22)14-17-8-3-1-4-9-17/h1,3-4,7-10,13,15,19-20H,2,5-6,11-12,14,16H2,(H,25,26)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50358745 (CHEMBL1922274) Show SMILES NCc1ccc2sccc2c1 Show InChI InChI=1S/C9H9NS/c10-6-7-1-2-9-8(5-7)3-4-11-9/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	Article PubMed	n/a	n/a	600	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))	BDBM50355040 (CHEMBL1835298) Show SMILES C[C@H](N)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C14H26N4O4S/c1-8(15)12(19)18-11(6-4-5-7-16-10(3)23)13(20)17-9(2)14(21)22/h8-9,11H,4-7,15H2,1-3H3,(H,16,23)(H,17,20)(H,18,19)(H,21,22)/t8-,9-,11-/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	660	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
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50298651 (3-(Oxazolo[4,5-b]pyridin-2-yl)phenyl propylcarbama...) Show SMILES CCCNC(=O)Oc1cccc(c1)-c1nc2ncccc2o1 Show InChI InChI=1S/C16H15N3O3/c1-2-8-18-16(20)21-12-6-3-5-11(10-12)15-19-14-13(22-15)7-4-9-17-14/h3-7,9-10H,2,8H2,1H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Helsinki University of Technology Curated by ChEMBL					Assay Description Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting				Eur J Med Chem 44: 4179-91 (2009) Article DOI: 10.1016/j.ejmech.2009.05.012 BindingDB Entry DOI: 10.7270/Q2FT8M3R
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50326779 ((S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-(3-met...) Show SMILES CC(C)CC(=S)NCCCC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O5S/c1-11(2)10-16(29)20-9-7-6-8-15(18(26)22-13(4)19(27)28)23-17(25)12(3)21-14(5)24/h11-13,15H,6-10H2,1-5H3,(H,20,29)(H,21,24)(H,22,26)(H,23,25)(H,27,28)/t12-,13-,15-/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	700	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

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