Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'jung' and Initial = 'km'   

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
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458979 (CHEMBL4210086) Show SMILES CC(=O)NCCc1c(Br)[nH]c2ccc(OCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12 Show InChI InChI=1S/C31H34BrN3O4/c1-22(36)33-18-16-27-28-21-25(14-15-29(28)35-30(27)32)38-19-8-3-2-7-17-34-31(37)39-26-13-9-12-24(20-26)23-10-5-4-6-11-23/h4-6,9-15,20-21,35H,2-3,7-8,16-19H2,1H3,(H,33,36)(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458979 (CHEMBL4210086) Show SMILES CC(=O)NCCc1c(Br)[nH]c2ccc(OCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12 Show InChI InChI=1S/C31H34BrN3O4/c1-22(36)33-18-16-27-28-21-25(14-15-29(28)35-30(27)32)38-19-8-3-2-7-17-34-31(37)39-26-13-9-12-24(20-26)23-10-5-4-6-11-23/h4-6,9-15,20-21,35H,2-3,7-8,16-19H2,1H3,(H,33,36)(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458978 (CHEMBL4214478) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12 Show InChI InChI=1S/C31H35N3O4/c1-23(35)32-18-16-26-22-34-30-15-14-27(21-29(26)30)37-19-8-3-2-7-17-33-31(36)38-28-13-9-12-25(20-28)24-10-5-4-6-11-24/h4-6,9-15,20-22,34H,2-3,7-8,16-19H2,1H3,(H,32,35)(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458976 (CHEMBL4202816) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12 Show InChI InChI=1S/C33H39N3O4/c1-25(37)34-20-18-28-24-36-32-17-16-29(23-31(28)32)39-21-10-5-3-2-4-9-19-35-33(38)40-30-15-11-14-27(22-30)26-12-7-6-8-13-26/h6-8,11-17,22-24,36H,2-5,9-10,18-21H2,1H3,(H,34,37)(H,35,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458978 (CHEMBL4214478) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12 Show InChI InChI=1S/C31H35N3O4/c1-23(35)32-18-16-26-22-34-30-15-14-27(21-29(26)30)37-19-8-3-2-7-17-33-31(36)38-28-13-9-12-25(20-28)24-10-5-4-6-11-24/h4-6,9-15,20-22,34H,2-3,7-8,16-19H2,1H3,(H,32,35)(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458976 (CHEMBL4202816) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12 Show InChI InChI=1S/C33H39N3O4/c1-25(37)34-20-18-28-24-36-32-17-16-29(23-31(28)32)39-21-10-5-3-2-4-9-19-35-33(38)40-30-15-11-14-27(22-30)26-12-7-6-8-13-26/h6-8,11-17,22-24,36H,2-5,9-10,18-21H2,1H3,(H,34,37)(H,35,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458975 (CHEMBL4211018) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C28H33N3O4/c1-22(32)29-17-18-31(2)25-13-9-14-26(21-25)34-19-7-6-16-30-28(33)35-27-15-8-12-24(20-27)23-10-4-3-5-11-23/h3-5,8-15,20-21H,6-7,16-19H2,1-2H3,(H,29,32)(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458984 (CHEMBL4218897) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)c1 Show InChI InChI=1S/C31H38N4O5/c1-23(36)33-17-18-35(2)27-13-9-14-28(22-27)39-19-6-4-3-5-16-34-31(38)40-29-15-8-11-25(21-29)24-10-7-12-26(20-24)30(32)37/h7-15,20-22H,3-6,16-19H2,1-2H3,(H2,32,37)(H,33,36)(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458977 (CHEMBL4215980) Show SMILES CCC(=O)NCCN(C)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C31H39N3O4/c1-3-30(35)32-20-21-34(2)27-16-12-17-28(24-27)37-22-10-5-4-9-19-33-31(36)38-29-18-11-15-26(23-29)25-13-7-6-8-14-25/h6-8,11-18,23-24H,3-5,9-10,19-22H2,1-2H3,(H,32,35)(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458977 (CHEMBL4215980) Show SMILES CCC(=O)NCCN(C)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C31H39N3O4/c1-3-30(35)32-20-21-34(2)27-16-12-17-28(24-27)37-22-10-5-4-9-19-33-31(36)38-29-18-11-15-26(23-29)25-13-7-6-8-14-25/h6-8,11-18,23-24H,3-5,9-10,19-22H2,1-2H3,(H,32,35)(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458982 (CHEMBL4211530) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C30H37N3O4/c1-24(34)31-19-20-33(2)27-15-11-16-28(23-27)36-21-9-4-3-8-18-32-30(35)37-29-17-10-14-26(22-29)25-12-6-5-7-13-25/h5-7,10-17,22-23H,3-4,8-9,18-21H2,1-2H3,(H,31,34)(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458983 (CHEMBL4207166) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2cccc(O)c2)c1 Show InChI InChI=1S/C30H37N3O5/c1-23(34)31-17-18-33(2)26-12-9-14-28(22-26)37-19-6-4-3-5-16-32-30(36)38-29-15-8-11-25(21-29)24-10-7-13-27(35)20-24/h7-15,20-22,35H,3-6,16-19H2,1-2H3,(H,31,34)(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458987 (CHEMBL4206000) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(OC(=O)NC3CCCCC3)c2)c1 Show InChI InChI=1S/C30H43N3O5/c1-24(34)31-18-19-33(2)26-14-10-15-27(22-26)36-20-8-3-4-9-21-37-28-16-11-17-29(23-28)38-30(35)32-25-12-6-5-7-13-25/h10-11,14-17,22-23,25H,3-9,12-13,18-21H2,1-2H3,(H,31,34)(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458983 (CHEMBL4207166) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2cccc(O)c2)c1 Show InChI InChI=1S/C30H37N3O5/c1-23(34)31-17-18-33(2)26-12-9-14-28(22-26)37-19-6-4-3-5-16-32-30(36)38-29-15-8-11-25(21-29)24-10-7-13-27(35)20-24/h7-15,20-22,35H,3-6,16-19H2,1-2H3,(H,31,34)(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458981 (CHEMBL4206642) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C32H41N3O4/c1-26(36)33-21-22-35(2)29-17-13-18-30(25-29)38-23-11-6-4-3-5-10-20-34-32(37)39-31-19-12-16-28(24-31)27-14-8-7-9-15-27/h7-9,12-19,24-25H,3-6,10-11,20-23H2,1-2H3,(H,33,36)(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458981 (CHEMBL4206642) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C32H41N3O4/c1-26(36)33-21-22-35(2)29-17-13-18-30(25-29)38-23-11-6-4-3-5-10-20-34-32(37)39-31-19-12-16-28(24-31)27-14-8-7-9-15-27/h7-9,12-19,24-25H,3-6,10-11,20-23H2,1-2H3,(H,33,36)(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458982 (CHEMBL4211530) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C30H37N3O4/c1-24(34)31-19-20-33(2)27-15-11-16-28(23-27)36-21-9-4-3-8-18-32-30(35)37-29-17-10-14-26(22-29)25-12-6-5-7-13-25/h5-7,10-17,22-23H,3-4,8-9,18-21H2,1-2H3,(H,31,34)(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458980 (CHEMBL4210884) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCOc2cccc(OC(=O)NC3CCCCC3)c2)c1 Show InChI InChI=1S/C28H39N3O5/c1-22(32)29-16-17-31(2)24-12-8-13-25(20-24)34-18-6-7-19-35-26-14-9-15-27(21-26)36-28(33)30-23-10-4-3-5-11-23/h8-9,12-15,20-21,23H,3-7,10-11,16-19H2,1-2H3,(H,29,32)(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458984 (CHEMBL4218897) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)c1 Show InChI InChI=1S/C31H38N4O5/c1-23(36)33-17-18-35(2)27-13-9-14-28(22-27)39-19-6-4-3-5-16-34-31(38)40-29-15-8-11-25(21-29)24-10-7-12-26(20-24)30(32)37/h7-15,20-22H,3-6,16-19H2,1-2H3,(H2,32,37)(H,33,36)(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458975 (CHEMBL4211018) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C28H33N3O4/c1-22(32)29-17-18-31(2)25-13-9-14-26(21-25)34-19-7-6-16-30-28(33)35-27-15-8-12-24(20-27)23-10-4-3-5-11-23/h3-5,8-15,20-21H,6-7,16-19H2,1-2H3,(H,29,32)(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458980 (CHEMBL4210884) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCOc2cccc(OC(=O)NC3CCCCC3)c2)c1 Show InChI InChI=1S/C28H39N3O5/c1-22(32)29-16-17-31(2)24-12-8-13-25(20-24)34-18-6-7-19-35-26-14-9-15-27(21-26)36-28(33)30-23-10-4-3-5-11-23/h8-9,12-15,20-21,23H,3-7,10-11,16-19H2,1-2H3,(H,29,32)(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458985 (CHEMBL4218247) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(O)c2)c1 Show InChI InChI=1S/C23H32N2O4/c1-19(26)24-13-14-25(2)20-9-7-11-22(17-20)28-15-5-3-4-6-16-29-23-12-8-10-21(27)18-23/h7-12,17-18,27H,3-6,13-16H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458974 (CHEMBL4206516) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCOc2cccc(O)c2)c1 Show InChI InChI=1S/C21H28N2O4/c1-17(24)22-11-12-23(2)18-7-5-9-20(15-18)26-13-3-4-14-27-21-10-6-8-19(25)16-21/h5-10,15-16,25H,3-4,11-14H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458987 (CHEMBL4206000) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(OC(=O)NC3CCCCC3)c2)c1 Show InChI InChI=1S/C30H43N3O5/c1-24(34)31-18-19-33(2)26-14-10-15-27(22-26)36-20-8-3-4-9-21-37-28-16-11-17-29(23-28)38-30(35)32-25-12-6-5-7-13-25/h10-11,14-17,22-23,25H,3-9,12-13,18-21H2,1-2H3,(H,31,34)(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458985 (CHEMBL4218247) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(O)c2)c1 Show InChI InChI=1S/C23H32N2O4/c1-19(26)24-13-14-25(2)20-9-7-11-22(17-20)28-15-5-3-4-6-16-29-23-12-8-10-21(27)18-23/h7-12,17-18,27H,3-6,13-16H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458988 (CHEMBL4209446) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCN)c1 Show InChI InChI=1S/C17H29N3O2/c1-15(21)19-11-12-20(2)16-8-7-9-17(14-16)22-13-6-4-3-5-10-18/h7-9,14H,3-6,10-13,18H2,1-2H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458988 (CHEMBL4209446) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCN)c1 Show InChI InChI=1S/C17H29N3O2/c1-15(21)19-11-12-20(2)16-8-7-9-17(14-16)22-13-6-4-3-5-10-18/h7-9,14H,3-6,10-13,18H2,1-2H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458974 (CHEMBL4206516) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCOc2cccc(O)c2)c1 Show InChI InChI=1S/C21H28N2O4/c1-17(24)22-11-12-23(2)18-7-5-9-20(15-18)26-13-3-4-14-27-21-10-6-8-19(25)16-21/h5-10,15-16,25H,3-4,11-14H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50458986 (CHEMBL4214348) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCN)c1 Show InChI InChI=1S/C15H25N3O2/c1-13(19)17-9-10-18(2)14-6-5-7-15(12-14)20-11-4-3-8-16/h5-7,12H,3-4,8-11,16H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50458986 (CHEMBL4214348) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCN)c1 Show InChI InChI=1S/C15H25N3O2/c1-13(19)17-9-10-18(2)14-6-5-7-15(12-14)20-11-4-3-8-16/h5-7,12H,3-4,8-11,16H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50160284 (CHEMBL3785379) Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of rat MAGL				J Med Chem 59: 2612-32 (2016) Article DOI: 10.1021/acs.jmedchem.5b01812 BindingDB Entry DOI: 10.7270/Q21R6SC7
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50458983 (CHEMBL4207166) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2cccc(O)c2)c1 Show InChI InChI=1S/C30H37N3O5/c1-23(34)31-17-18-33(2)26-12-9-14-28(22-26)37-19-6-4-3-5-16-32-30(36)38-29-15-8-11-25(21-29)24-10-7-13-27(35)20-24/h7-15,20-22,35H,3-6,16-19H2,1-2H3,(H,31,34)(H,32,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Inhibition of FAAH1 in Wistar rat brain homogenates using [3H]anandamide as substrate incubated for 30 mins by liquid scintillation counting method				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50458984 (CHEMBL4218897) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)c1 Show InChI InChI=1S/C31H38N4O5/c1-23(36)33-17-18-35(2)27-13-9-14-28(22-27)39-19-6-4-3-5-16-34-31(38)40-29-15-8-11-25(21-29)24-10-7-12-26(20-24)30(32)37/h7-15,20-22H,3-6,16-19H2,1-2H3,(H2,32,37)(H,33,36)(H,34,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Inhibition of FAAH1 in Wistar rat brain homogenates using [3H]anandamide as substrate incubated for 30 mins by liquid scintillation counting method				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50458981 (CHEMBL4206642) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C32H41N3O4/c1-26(36)33-21-22-35(2)29-17-13-18-30(25-29)38-23-11-6-4-3-5-10-20-34-32(37)39-31-19-12-16-28(24-31)27-14-8-7-9-15-27/h7-9,12-19,24-25H,3-6,10-11,20-23H2,1-2H3,(H,33,36)(H,34,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Inhibition of FAAH1 in Wistar rat brain homogenates using [3H]anandamide as substrate incubated for 30 mins by liquid scintillation counting method				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50458979 (CHEMBL4210086) Show SMILES CC(=O)NCCc1c(Br)[nH]c2ccc(OCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12 Show InChI InChI=1S/C31H34BrN3O4/c1-22(36)33-18-16-27-28-21-25(14-15-29(28)35-30(27)32)38-19-8-3-2-7-17-34-31(37)39-26-13-9-12-24(20-26)23-10-5-4-6-11-23/h4-6,9-15,20-21,35H,2-3,7-8,16-19H2,1H3,(H,33,36)(H,34,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Inhibition of FAAH1 in Wistar rat brain homogenates using [3H]anandamide as substrate incubated for 30 mins by liquid scintillation counting method				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50458982 (CHEMBL4211530) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C30H37N3O4/c1-24(34)31-19-20-33(2)27-15-11-16-28(23-27)36-21-9-4-3-8-18-32-30(35)37-29-17-10-14-26(22-29)25-12-6-5-7-13-25/h5-7,10-17,22-23H,3-4,8-9,18-21H2,1-2H3,(H,31,34)(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Inhibition of FAAH1 in Wistar rat brain homogenates using [3H]anandamide as substrate incubated for 30 mins by liquid scintillation counting method				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50160282 (CHEMBL3785760) Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCC(CC2)N2[C@@H]([C@H](C2=O)c2ccc(F)cc2)c2ccc3OCOc3c2)cc1 |r| Show InChI InChI=1S/C28H24FN3O7/c29-19-4-1-17(2-5-19)25-26(18-3-10-23-24(15-18)38-16-37-23)31(27(25)33)20-11-13-30(14-12-20)28(34)39-22-8-6-21(7-9-22)32(35)36/h1-10,15,20,25-26H,11-14,16H2/t25-,26-/m1/s1	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...				J Med Chem 59: 2612-32 (2016) Article DOI: 10.1021/acs.jmedchem.5b01812 BindingDB Entry DOI: 10.7270/Q21R6SC7
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50458975 (CHEMBL4211018) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C28H33N3O4/c1-22(32)29-17-18-31(2)25-13-9-14-26(21-25)34-19-7-6-16-30-28(33)35-27-15-8-12-24(20-27)23-10-4-3-5-11-23/h3-5,8-15,20-21H,6-7,16-19H2,1-2H3,(H,29,32)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Inhibition of FAAH1 in Wistar rat brain homogenates using [3H]anandamide as substrate incubated for 30 mins by liquid scintillation counting method				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50458978 (CHEMBL4214478) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12 Show InChI InChI=1S/C31H35N3O4/c1-23(35)32-18-16-26-22-34-30-15-14-27(21-29(26)30)37-19-8-3-2-7-17-33-31(36)38-28-13-9-12-25(20-28)24-10-5-4-6-11-24/h4-6,9-15,20-22,34H,2-3,7-8,16-19H2,1H3,(H,32,35)(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Inhibition of FAAH1 in Wistar rat brain homogenates using [3H]anandamide as substrate incubated for 30 mins by liquid scintillation counting method				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50458977 (CHEMBL4215980) Show SMILES CCC(=O)NCCN(C)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C31H39N3O4/c1-3-30(35)32-20-21-34(2)27-16-12-17-28(24-27)37-22-10-5-4-9-19-33-31(36)38-29-18-11-15-26(23-29)25-13-7-6-8-14-25/h6-8,11-18,23-24H,3-5,9-10,19-22H2,1-2H3,(H,32,35)(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Inhibition of FAAH1 in Wistar rat brain homogenates using [3H]anandamide as substrate incubated for 30 mins by liquid scintillation counting method				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50458976 (CHEMBL4202816) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12 Show InChI InChI=1S/C33H39N3O4/c1-25(37)34-20-18-28-24-36-32-17-16-29(23-31(28)32)39-21-10-5-3-2-4-9-19-35-33(38)40-30-15-11-14-27(22-30)26-12-7-6-8-13-26/h6-8,11-17,22-24,36H,2-5,9-10,18-21H2,1H3,(H,34,37)(H,35,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Inhibition of FAAH1 in Wistar rat brain homogenates using [3H]anandamide as substrate incubated for 30 mins by liquid scintillation counting method				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50160284 (CHEMBL3785379) Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/m1/s1	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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...				J Med Chem 59: 2612-32 (2016) Article DOI: 10.1021/acs.jmedchem.5b01812 BindingDB Entry DOI: 10.7270/Q21R6SC7
					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
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Inhibition of FAAH1 in Wistar rat brain homogenates using [3H]anandamide as substrate incubated for 30 mins by liquid scintillation counting method				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50160284 (CHEMBL3785379) Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/m1/s1	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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...				J Med Chem 59: 2612-32 (2016) Article DOI: 10.1021/acs.jmedchem.5b01812 BindingDB Entry DOI: 10.7270/Q21R6SC7
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50160284 (CHEMBL3785379) Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of MAGL in rat brain membranes preincubated for 20 mins followed by fluorophosphonate-rhodamine addition measured after 30 mins by competi...				J Med Chem 59: 2612-32 (2016) Article DOI: 10.1021/acs.jmedchem.5b01812 BindingDB Entry DOI: 10.7270/Q21R6SC7
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50514172 (CHEMBL4536072) Show SMILES O=c1n(NCCCCCNn2sc3ccccc3c2=O)sc2ccccc12 Show InChI InChI=1S/C19H20N4O2S2/c24-18-14-8-2-4-10-16(14)26-22(18)20-12-6-1-7-13-21-23-19(25)15-9-3-5-11-17(15)27-23/h2-5,8-11,20-21H,1,6-7,12-13H2	Reactome pathway KEGG UniProtKB/SwissProt 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
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...				J Med Chem 63: 1261-1280 (2020) Article DOI: 10.1021/acs.jmedchem.9b01679 BindingDB Entry DOI: 10.7270/Q2377D2G
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50160280 (CHEMBL3787340) Show SMILES COc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C25H25N5O5/c1-33-19-5-2-16(3-6-19)22-23(17-4-7-20-21(12-17)35-15-34-20)30(24(22)31)18-8-10-28(11-9-18)25(32)29-14-26-13-27-29/h2-7,12-14,18,22-23H,8-11,15H2,1H3/t22-,23-/m1/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...				J Med Chem 59: 2612-32 (2016) Article DOI: 10.1021/acs.jmedchem.5b01812 BindingDB Entry DOI: 10.7270/Q21R6SC7
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50514166 (CHEMBL4448448) Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12 Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...				J Med Chem 63: 1261-1280 (2020) Article DOI: 10.1021/acs.jmedchem.9b01679 BindingDB Entry DOI: 10.7270/Q2377D2G
					More data for this Ligand-Target Pair

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