Compile Data Set for Download or QSAR

Found 1381 hits with Last Name = 'piomelli' and Initial = 'd'   

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
Cannabinoid receptor 1 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting				Bioorg Med Chem Lett 19: 639-43 (2009) Article DOI: 10.1016/j.bmcl.2008.12.059 BindingDB Entry DOI: 10.7270/Q200020F
					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
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50007674 ((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...) Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398926 (CHEMBL2178786) Show SMILES COc1ccc2CN(CCCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:26:24:28:19.18.20,26:19:28:24.27.23,THB:16:17:23:19.26.20,18:17:23:19.26.20,18:19:17.27.28:23,25:24:28:19.18.20| Show InChI InChI=1S/C36H54N2O3/c1-33-19-26-20-34(2,23-33)25-35(21-26,24-33)37-15-8-6-4-5-7-9-16-38-17-14-36-13-12-28(39)18-30(36)41-32-29(40-3)11-10-27(22-38)31(32)36/h10-13,26,28,30,37,39H,4-9,14-25H2,1-3H3/t26?,28-,30-,33?,34?,35?,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					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
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398918 (CHEMBL2178778) Show SMILES COc1ccc2CN(CCCNCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:27:16:25:22.20.19,21:20:17:25.26.23,24:23:17.16.27:19,THB:26:16:25.23.22:19,26:23:17.16.27:19,27:20:25:17.16.26,22:23:17:27.20.19,22:20:17:25.26.23,21:20:25:17.16.26,24:23:17:27.20.19| Show InChI InChI=1S/C34H51N3O3/c1-31-17-24-18-32(2,21-31)23-33(19-24,22-31)36-13-4-11-35-12-5-14-37-15-10-34-9-8-26(38)16-28(34)40-30-27(39-3)7-6-25(20-37)29(30)34/h6-9,24,26,28,35-36,38H,4-5,10-23H2,1-3H3/t24?,26-,28-,31?,32?,33?,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398928 (CHEMBL2178784) Show SMILES COc1ccc2CN(CCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:24:22:26:17.16.18,24:17:26:22.25.21,THB:23:22:26:17.16.18,14:15:21:17.24.18,16:15:21:17.24.18,16:17:15.25.26:21| Show InChI InChI=1S/C34H50N2O3/c1-31-17-24-18-32(2,21-31)23-33(19-24,22-31)35-13-6-4-5-7-14-36-15-12-34-11-10-26(37)16-28(34)39-30-27(38-3)9-8-25(20-36)29(30)34/h8-11,24,26,28,35,37H,4-7,12-23H2,1-3H3/t24?,26-,28-,31?,32?,33?,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398924 (CHEMBL2178788) Show SMILES COc1ccc2CN(CCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22,14:16:22:18.25.19| Show InChI InChI=1S/C35H52N2O3/c1-32-18-25-19-33(2,22-32)24-34(20-25,23-32)36(3)14-7-5-6-8-15-37-16-13-35-12-11-27(38)17-29(35)40-31-28(39-4)10-9-26(21-37)30(31)35/h9-12,25,27,29,38H,5-8,13-24H2,1-4H3/t25?,27-,29-,32?,33?,34?,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551183 (CHEMBL4747846) Show SMILES Oc1ccc(cc1)-c1ccc(-c2cc(O)cc(O)c2)c(c1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398915 (CHEMBL2178781) Show SMILES COc1ccc2CN(CCCCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:27:16:19.20.22:25,24:23:17:19.27.20,21:20:17.16.26:25,THB:27:20:17.16.26:25,24:23:19:17.16.27,26:16:19:22.23.25,26:23:19:17.16.27,22:20:17:26.23.25,22:23:17:19.27.20,15:16:19:22.23.25,15:16:19.20.22:25,21:20:17:26.23.25| Show InChI InChI=1S/C34H48N2O4/c1-31-16-23-17-32(2,20-31)22-33(18-23,21-31)35-28(38)7-5-4-6-13-36-14-12-34-11-10-25(37)15-27(34)40-30-26(39-3)9-8-24(19-36)29(30)34/h8-11,23,25,27,37H,4-7,12-22H2,1-3H3,(H,35,38)/t23?,25-,27-,31?,32?,33?,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
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Beta-1 adrenergic receptor (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 102: 18620-5 (2005) Article DOI: 10.1073/pnas.0509591102 BindingDB Entry DOI: 10.7270/Q2F47MQJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 102: 18620-5 (2005) Article DOI: 10.1073/pnas.0509591102 BindingDB Entry DOI: 10.7270/Q2F47MQJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 102: 18620-5 (2005) Article DOI: 10.1073/pnas.0509591102 BindingDB Entry DOI: 10.7270/Q2F47MQJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 102: 18620-5 (2005) Article DOI: 10.1073/pnas.0509591102 BindingDB Entry DOI: 10.7270/Q2F47MQJ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (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 B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 102: 18620-5 (2005) Article DOI: 10.1073/pnas.0509591102 BindingDB Entry DOI: 10.7270/Q2F47MQJ
					More data for this Ligand-Target Pair
Histamine H1 receptor (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 102: 18620-5 (2005) Article DOI: 10.1073/pnas.0509591102 BindingDB Entry DOI: 10.7270/Q2F47MQJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 102: 18620-5 (2005) Article DOI: 10.1073/pnas.0509591102 BindingDB Entry DOI: 10.7270/Q2F47MQJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 102: 18620-5 (2005) Article DOI: 10.1073/pnas.0509591102 BindingDB Entry DOI: 10.7270/Q2F47MQJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (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)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 102: 18620-5 (2005) Article DOI: 10.1073/pnas.0509591102 BindingDB Entry DOI: 10.7270/Q2F47MQJ
					More data for this Ligand-Target Pair
Histamine H2 receptor (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 102: 18620-5 (2005) Article DOI: 10.1073/pnas.0509591102 BindingDB Entry DOI: 10.7270/Q2F47MQJ
					More data for this Ligand-Target Pair
AP-2 complex subunit sigma (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 102: 18620-5 (2005) Article DOI: 10.1073/pnas.0509591102 BindingDB Entry DOI: 10.7270/Q2F47MQJ
					More data for this Ligand-Target Pair

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