Compile Data Set for Download or QSAR

Found 622 hits with Last Name = 'lehr' 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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human coagulation factor alpha-thrombin using Boc-Val-Pro-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluor...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01635 BindingDB Entry DOI: 10.7270/Q2JM2F72
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM23120 (7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...) Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of rat recombinant FAAH expressed in Escherichia coli				Bioorg Med Chem 20: 1100-12 (2012) Article DOI: 10.1016/j.bmc.2011.11.027 BindingDB Entry DOI: 10.7270/Q2G16191
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50295926 (4'-O-methylhonokiol, MH | 4-methoxyhonokiol | ...) Show SMILES COc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O Show InChI InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50073975 (1,1,1-Trifluoro-tridecan-2-one | 1,1,1-trifluorotr...) Show SMILES CCCCCCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C13H23F3O/c1-2-3-4-5-6-7-8-9-10-11-12(17)13(14,15)16/h2-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of FAAH				Bioorg Med Chem 20: 1100-12 (2012) Article DOI: 10.1016/j.bmc.2011.11.027 BindingDB Entry DOI: 10.7270/Q2G16191
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428092 (CHEMBL32362 | tetrahydro-magnolol) Show SMILES CCCc1ccc(O)c(c1)-c1cc(CCC)ccc1O Show InChI InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	416	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50073977 (1,1,1-Trifluoro-nonan-2-one | 1,1,1-trifluorononan...) Show SMILES CCCCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C9H15F3O/c1-2-3-4-5-6-7-8(13)9(10,11)12/h2-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of FAAH				Bioorg Med Chem 20: 1100-12 (2012) Article DOI: 10.1016/j.bmc.2011.11.027 BindingDB Entry DOI: 10.7270/Q2G16191
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM78304 (2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...) Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50428092 (CHEMBL32362 | tetrahydro-magnolol) Show SMILES CCCc1ccc(O)c(c1)-c1cc(CCC)ccc1O Show InChI InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428091 (CHEMBL179840) Show SMILES C\C=C\c1ccc(O)c(c1)-c1cc(\C=C\C)ccc1O Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-12,19-20H,1-2H3/b5-3+,6-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM78304 (2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...) Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human coagulation factor Xa using Boc-Ile-Glu-Gly-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01635 BindingDB Entry DOI: 10.7270/Q2JM2F72
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50157304 (3',5-di-2-propenyl-1,1'-biphenyl-2,4'-diol | 3',5-...) Show SMILES Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50157304 (3',5-di-2-propenyl-1,1'-biphenyl-2,4'-diol | 3',5-...) Show SMILES Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50428091 (CHEMBL179840) Show SMILES C\C=C\c1ccc(O)c(c1)-c1cc(\C=C\C)ccc1O Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-12,19-20H,1-2H3/b5-3+,6-4+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428093 (8,9-dihydroxydihydro-magnolol | CHEMBL2331642) Show SMILES OCC(O)Cc1ccc(O)c(c1)-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H20O4/c1-2-3-12-4-6-17(21)15(9-12)16-10-13(5-7-18(16)22)8-14(20)11-19/h2,4-7,9-10,14,19-22H,1,3,8,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50428093 (8,9-dihydroxydihydro-magnolol | CHEMBL2331642) Show SMILES OCC(O)Cc1ccc(O)c(c1)-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H20O4/c1-2-3-12-4-6-17(21)15(9-12)16-10-13(5-7-18(16)22)8-14(20)11-19/h2,4-7,9-10,14,19-22H,1,3,8,11H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				ACS Med Chem Lett 4: 41-5 (2013) Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW
					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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of rat intact neuron FAAH				Bioorg Med Chem 20: 1100-12 (2012) Article DOI: 10.1016/j.bmc.2011.11.027 BindingDB Entry DOI: 10.7270/Q2G16191
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM7840 (RIVAROXABAN | US8822458, 44 | US8822458, 97) Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human coagulation factor Xa using Boc-Ile-Glu-Gly-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01635 BindingDB Entry DOI: 10.7270/Q2JM2F72
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185354 (3-methylhydrogen 1-[3-(4-decyloxyphenoxy)-2-oxopro...) Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C30H37NO7/c1-3-4-5-6-7-8-9-10-17-37-24-12-14-25(15-13-24)38-21-23(32)19-31-20-27(30(35)36-2)26-18-22(29(33)34)11-16-28(26)31/h11-16,18,20H,3-10,17,19,21H2,1-2H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50161518 (1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...) Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of FAAH (unknown origin)				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185348 (3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM60622 (BDBM50300355 | US11753371, Compound JZL-184 | US91...) Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2	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	2	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of human MAGL expressed in monkey COS7 cells				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50161518 (1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...) Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain microsome FAAH assessed as reduction in 4-pyren-1-ylbutanoic acid release after 60 mins by reverse phase HPLC-...				Bioorg Med Chem 20: 1100-12 (2012) Article DOI: 10.1016/j.bmc.2011.11.027 BindingDB Entry DOI: 10.7270/Q2G16191
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50161518 (1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...) Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of FAAH in rat brain microsomes using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate after 60 mins by fluorescence-based reversed ...				Bioorg Med Chem 25: 825-837 (2017) Article DOI: 10.1016/j.bmc.2016.11.025 BindingDB Entry DOI: 10.7270/Q20C4XQH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia 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 M£nster Curated by ChEMBL					Assay Description Inhibition of FAAH (unknown origin)				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50161518 (1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...) Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185354 (3-methylhydrogen 1-[3-(4-decyloxyphenoxy)-2-oxopro...) Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C30H37NO7/c1-3-4-5-6-7-8-9-10-17-37-24-12-14-25(15-13-24)38-21-23(32)19-31-20-27(30(35)36-2)26-18-22(29(33)34)11-16-28(26)31/h11-16,18,20H,3-10,17,19,21H2,1-2H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of human isolated cPLA2alpha by vescicle assay				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of rat brain membrane FAAH				Bioorg Med Chem 20: 1100-12 (2012) Article DOI: 10.1016/j.bmc.2011.11.027 BindingDB Entry DOI: 10.7270/Q2G16191
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185348 (3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of human isolated cPLA2alpha by vescicle assay				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185348 (3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay				Bioorg Med Chem 15: 2883-91 (2007) Article DOI: 10.1016/j.bmc.2007.02.016 BindingDB Entry DOI: 10.7270/Q24749JP
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50277800 (1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indazole-5-c...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ncc3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C25H30N2O4/c1-2-3-4-5-6-7-8-19-9-12-23(13-10-19)31-18-22(28)17-27-24-14-11-20(25(29)30)15-21(24)16-26-27/h9-16H,2-8,17-18H2,1H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of cPLA2 in human platelets assessed as arachidonic acid release				Bioorg Med Chem Lett 19: 2107-11 (2009) Article DOI: 10.1016/j.bmcl.2009.03.019 BindingDB Entry DOI: 10.7270/Q26H4JB8
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185348 (3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of cPLA2 from human platelets by RP-HPLC				Bioorg Med Chem 18: 945-52 (2010) Article DOI: 10.1016/j.bmc.2009.11.028 BindingDB Entry DOI: 10.7270/Q2N016MF
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50432843 (CHEMBL2376224) Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(cc1)-n1cccc1 Show InChI InChI=1S/C14H14N6O/c1-18(2)14(21)20-16-13(15-17-20)11-5-7-12(8-6-11)19-9-3-4-10-19/h3-10H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50277800 (1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indazole-5-c...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ncc3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C25H30N2O4/c1-2-3-4-5-6-7-8-19-9-12-23(13-10-19)31-18-22(28)17-27-24-14-11-20(25(29)30)15-21(24)16-26-27/h9-16H,2-8,17-18H2,1H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of cPLA2 from human platelets by RP-HPLC				Bioorg Med Chem 18: 945-52 (2010) Article DOI: 10.1016/j.bmc.2009.11.028 BindingDB Entry DOI: 10.7270/Q2N016MF
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM26736 (CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...) Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50432847 (CHEMBL2376220) Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C16H14ClN5O2/c1-21(2)16(23)22-19-15(18-20-22)11-6-8-13(9-7-11)24-14-5-3-4-12(17)10-14/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50242634 (5-((biphenyl-4-yl)methyl)-N,N-dimethyl-2H-tetrazol...) Show SMILES CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-19-16(18-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Monoglyceride lipase (Mus musculus (mouse))	BDBM60622 (BDBM50300355 | US11753371, Compound JZL-184 | US91...) Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain membranes preincubated for 30 mins				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50432856 (CHEMBL2376208) Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H17N5O2/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human coagulation factor alpha-thrombin using Boc-Val-Pro-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluor...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01635 BindingDB Entry DOI: 10.7270/Q2JM2F72
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185351 (3-acetyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(C)=O)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H33NO5/c1-3-4-5-6-7-8-9-21-10-13-24(14-11-21)34-19-23(31)17-29-18-26(20(2)30)25-16-22(28(32)33)12-15-27(25)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50432854 (CHEMBL2376210) Show SMILES CN(C)C(=O)n1nnnc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H15N5O2/c1-20(2)16(22)21-15(17-18-19-21)12-8-10-14(11-9-12)23-13-6-4-3-5-7-13/h3-11H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185350 (1-(3-(4-(decyloxy)phenoxy)-2-oxopropyl)-1H-indole-...) Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H35NO5/c1-2-3-4-5-6-7-8-9-18-33-25-11-13-26(14-12-25)34-21-24(30)20-29-17-16-22-19-23(28(31)32)10-15-27(22)29/h10-17,19H,2-9,18,20-21H2,1H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM60622 (BDBM50300355 | US11753371, Compound JZL-184 | US91...) Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2	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	8	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of recombinant MAGL (unknown origin) expressed in monkey COS7 cells				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50432841 (CHEMBL2376226) Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C13H13N7O/c1-18(2)13(21)20-16-12(15-17-20)10-4-6-11(7-5-10)19-9-3-8-14-19/h3-9H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50432855 (CHEMBL2376209) Show SMILES CN(C)C(=O)n1nnc(Cc2ccc(Oc3ccccc3)cc2)n1 Show InChI InChI=1S/C17H17N5O2/c1-21(2)17(23)22-19-16(18-20-22)12-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...				Eur J Med Chem 63: 64-75 (2013) Article DOI: 10.1016/j.ejmech.2013.01.050 BindingDB Entry DOI: 10.7270/Q2377B2N
					More data for this Ligand-Target Pair

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