Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'orlando' and Initial = 'p'   

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	0.263	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					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	0.339	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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50419034 (CHEMBL1813321) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C28H42N4O4/c1-23(33)29-15-17-31(3)25-11-9-13-27(21-25)35-19-7-5-6-8-20-36-28-14-10-12-26(22-28)32(4)18-16-30-24(2)34/h9-14,21-22H,5-8,15-20H2,1-4H3,(H,29,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.39	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50419039 (CHEMBL1813323) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C32H50N4O4/c1-27(37)33-19-21-35(3)29-15-13-17-31(25-29)39-23-11-9-7-5-6-8-10-12-24-40-32-18-14-16-30(26-32)36(4)22-20-34-28(2)38/h13-18,25-26H,5-12,19-24H2,1-4H3,(H,33,37)(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50419040 (CHEMBL1813324) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2ccccc2)c1 Show InChI InChI=1S/C23H32N2O3/c1-20(26)24-15-16-25(2)21-11-10-14-23(19-21)28-18-9-4-3-8-17-27-22-12-6-5-7-13-22/h5-7,10-14,19H,3-4,8-9,15-18H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.4	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50419035 (CHEMBL1813322) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C30H46N4O4/c1-25(35)31-17-19-33(3)27-13-11-15-29(23-27)37-21-9-7-5-6-8-10-22-38-30-16-12-14-28(24-30)34(4)20-18-32-26(2)36/h11-16,23-24H,5-10,17-22H2,1-4H3,(H,31,35)(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50419032 (CHEMBL1813174) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C25H36N4O4/c1-20(30)26-12-14-28(3)22-8-5-10-24(18-22)32-16-7-17-33-25-11-6-9-23(19-25)29(4)15-13-27-21(2)31/h5-6,8-11,18-19H,7,12-17H2,1-4H3,(H,26,30)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.4	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50419036 (CHEMBL1813325) Show SMILES COc1cccc(c1)N(CCCCCCN(CCNC(C)=O)c1cccc(OC)c1)CCNC(C)=O Show InChI InChI=1S/C28H42N4O4/c1-23(33)29-15-19-31(25-11-9-13-27(21-25)35-3)17-7-5-6-8-18-32(20-16-30-24(2)34)26-12-10-14-28(22-26)36-4/h9-14,21-22H,5-8,15-20H2,1-4H3,(H,29,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.3	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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50419039 (CHEMBL1813323) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C32H50N4O4/c1-27(37)33-19-21-35(3)29-15-13-17-31(25-29)39-23-11-9-7-5-6-8-10-12-24-40-32-18-14-16-30(26-32)36(4)22-20-34-28(2)38/h13-18,25-26H,5-12,19-24H2,1-4H3,(H,33,37)(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40.7	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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50419033 (CHEMBL1813319) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C26H38N4O4/c1-21(31)27-13-15-29(3)23-9-7-11-25(19-23)33-17-5-6-18-34-26-12-8-10-24(20-26)30(4)16-14-28-22(2)32/h7-12,19-20H,5-6,13-18H2,1-4H3,(H,27,31)(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.7	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50419038 (CHEMBL1813320) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C27H40N4O4/c1-22(32)28-14-16-30(3)24-10-8-12-26(20-24)34-18-6-5-7-19-35-27-13-9-11-25(21-27)31(4)17-15-29-23(2)33/h8-13,20-21H,5-7,14-19H2,1-4H3,(H,28,32)(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57.5	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50419035 (CHEMBL1813322) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C30H46N4O4/c1-25(35)31-17-19-33(3)27-13-11-15-29(23-27)37-21-9-7-5-6-8-10-22-38-30-16-12-14-28(24-30)34(4)20-18-32-26(2)36/h11-16,23-24H,5-10,17-22H2,1-4H3,(H,31,35)(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93.3	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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50419040 (CHEMBL1813324) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2ccccc2)c1 Show InChI InChI=1S/C23H32N2O3/c1-20(26)24-15-16-25(2)21-11-10-14-23(19-21)28-18-9-4-3-8-17-27-22-12-6-5-7-13-22/h5-7,10-14,19H,3-4,8-9,15-18H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50419034 (CHEMBL1813321) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C28H42N4O4/c1-23(33)29-15-17-31(3)25-11-9-13-27(21-25)35-19-7-5-6-8-20-36-28-14-10-12-26(22-28)32(4)18-16-30-24(2)34/h9-14,21-22H,5-8,15-20H2,1-4H3,(H,29,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	182	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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50419041 (CHEMBL1813327) Show SMILES COc1cccc(c1)N(CCNC(C)=O)C(=O)CCCCC(=O)N(CCNC(C)=O)c1cccc(OC)c1 Show InChI InChI=1S/C28H38N4O6/c1-21(33)29-15-17-31(23-9-7-11-25(19-23)37-3)27(35)13-5-6-14-28(36)32(18-16-30-22(2)34)24-10-8-12-26(20-24)38-4/h7-12,19-20H,5-6,13-18H2,1-4H3,(H,29,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	245	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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50419041 (CHEMBL1813327) Show SMILES COc1cccc(c1)N(CCNC(C)=O)C(=O)CCCCC(=O)N(CCNC(C)=O)c1cccc(OC)c1 Show InChI InChI=1S/C28H38N4O6/c1-21(33)29-15-17-31(23-9-7-11-25(19-23)37-3)27(35)13-5-6-14-28(36)32(18-16-30-22(2)34)24-10-8-12-26(20-24)38-4/h7-12,19-20H,5-6,13-18H2,1-4H3,(H,29,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50419037 (CHEMBL1813326) Show SMILES COc1cccc(c1)N(CCCCCCCCCCN(CCNC(C)=O)c1cccc(OC)c1)CCNC(C)=O Show InChI InChI=1S/C32H50N4O4/c1-27(37)33-19-23-35(29-15-13-17-31(25-29)39-3)21-11-9-7-5-6-8-10-12-22-36(24-20-34-28(2)38)30-16-14-18-32(26-30)40-4/h13-18,25-26H,5-12,19-24H2,1-4H3,(H,33,37)(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	309	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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50419037 (CHEMBL1813326) Show SMILES COc1cccc(c1)N(CCCCCCCCCCN(CCNC(C)=O)c1cccc(OC)c1)CCNC(C)=O Show InChI InChI=1S/C32H50N4O4/c1-27(37)33-19-23-35(29-15-13-17-31(25-29)39-3)21-11-9-7-5-6-8-10-12-22-36(24-20-34-28(2)38)30-16-14-18-32(26-30)40-4/h13-18,25-26H,5-12,19-24H2,1-4H3,(H,33,37)(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50419036 (CHEMBL1813325) Show SMILES COc1cccc(c1)N(CCCCCCN(CCNC(C)=O)c1cccc(OC)c1)CCNC(C)=O Show InChI InChI=1S/C28H42N4O4/c1-23(33)29-15-19-31(25-11-9-13-27(21-25)35-3)17-7-5-6-8-18-32(20-16-30-24(2)34)26-12-10-14-28(22-26)36-4/h9-14,21-22H,5-8,15-20H2,1-4H3,(H,29,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	741	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50419038 (CHEMBL1813320) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C27H40N4O4/c1-22(32)28-14-16-30(3)24-10-8-12-26(20-24)34-18-6-5-7-19-35-27-13-9-11-25(21-27)31(4)17-15-29-23(2)33/h8-13,20-21H,5-7,14-19H2,1-4H3,(H,28,32)(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	813	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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50419033 (CHEMBL1813319) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C26H38N4O4/c1-21(31)27-13-15-29(3)23-9-7-11-25(19-23)33-17-5-6-18-34-26-12-8-10-24(20-26)30(4)16-14-28-22(2)32/h7-12,19-20H,5-6,13-18H2,1-4H3,(H,27,31)(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50419032 (CHEMBL1813174) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C25H36N4O4/c1-20(30)26-12-14-28(3)22-8-5-10-24(18-22)32-16-7-17-33-25-11-6-9-23(19-25)29(4)15-13-27-21(2)31/h5-6,8-11,18-19H,7,12-17H2,1-4H3,(H,26,30)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09E+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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582862 (CHEMBL5081456) Show SMILES Cc1c(COc2ccc(CN3CCCC[C@H]3C(=O)NCCN)c(OCc3cccc(c3)C#N)c2)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD-1/PDL-1 (unknown origin) binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582861 (CHEMBL5093056) Show SMILES Cc1c(COc2ccc(CN[C@H](CO)C(O)=O)c(OCc3cncc(c3)C#N)n2)cccc1-c1ccccc1 |r| Show InChI	PDB 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
TBA					Assay Description Inhibition of PD-1/PDL-1 (unknown origin) binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582860 (CHEMBL5078455) Show SMILES OC(=O)[C@@H]1CCCCN1Cc1ccc(OCc2cccc(c2Br)-c2ccccc2)c(Br)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD-1/PDL-1 (unknown origin) binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50239947 (CHEMBL4089730 | US20230303494, Compound BMS202 | U...) Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD-1/PDL-1 (unknown origin) binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317558 (CHEMBL1094770 | N-[(1R,2S,5R)-2-Isopropyl-5-methyl...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C23H29NO/c1-16(2)21-14-9-17(3)15-22(21)24-23(25)20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-8,10-13,16-17,21-22H,9,14-15H2,1-3H3,(H,24,25)/t17-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50239947 (CHEMBL4089730 | US20230303494, Compound BMS202 | U...) Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317567 (Biphenyl-3-yl-(1R,2S,5R)-2-isopropyl-5-methylcyclo...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C23H29NO2/c1-16(2)21-13-12-17(3)14-22(21)24-23(25)26-20-11-7-10-19(15-20)18-8-5-4-6-9-18/h4-11,15-17,21-22H,12-14H2,1-3H3,(H,24,25)/t17-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317558 (CHEMBL1094770 | N-[(1R,2S,5R)-2-Isopropyl-5-methyl...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C23H29NO/c1-16(2)21-14-9-17(3)15-22(21)24-23(25)20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-8,10-13,16-17,21-22H,9,14-15H2,1-3H3,(H,24,25)/t17-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50535869 (CHEMBL4576619) Show SMILES COc1cc2CCN([C@@H](c3ccc(F)cc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 |r| Show InChI InChI=1S/C35H34F2N2O5/c1-41-29-17-23-13-15-38(33(27(23)19-31(29)43-3)21-5-9-25(36)10-6-21)35(40)39-16-14-24-18-30(42-2)32(44-4)20-28(24)34(39)22-7-11-26(37)12-8-22/h5-12,17-20,33-34H,13-16H2,1-4H3/t33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium accumulation pr...				J Med Chem 59: 5661-83 (2016) Article DOI: 10.1021/acs.jmedchem.5b01448 BindingDB Entry DOI: 10.7270/Q2222Z8V
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582859 (CHEMBL5072370) Show SMILES Cc1c(COc2ccc(CNCCO)n3cnnc23)cccc1-c1ccc2OCCOc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD-1/PDL-1 (unknown origin) binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317566 (4-tert-Butylphenyl-(1R,2S,5R)-2-isopropyl-5-methyl...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C21H33NO2/c1-14(2)18-12-7-15(3)13-19(18)22-20(23)24-17-10-8-16(9-11-17)21(4,5)6/h8-11,14-15,18-19H,7,12-13H2,1-6H3,(H,22,23)/t15-,18+,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317566 (4-tert-Butylphenyl-(1R,2S,5R)-2-isopropyl-5-methyl...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C21H33NO2/c1-14(2)18-12-7-15(3)13-19(18)22-20(23)24-17-10-8-16(9-11-17)21(4,5)6/h8-11,14-15,18-19H,7,12-13H2,1-6H3,(H,22,23)/t15-,18+,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582867 (CHEMBL5085181) Show SMILES CC(=O)NCCNc1ncnc(OCc2cccc(c2C)-c2ccccc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582863 (CHEMBL5080368) Show SMILES COc1cc(ccc1CNCCO)C(=O)N1CCC2C1C=CC=C2c1ccccc1 |c:22,24| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD-1/PDL-1 (unknown origin) binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50535888 (CHEMBL4527663) Show SMILES COc1cc2CCN([C@@H](c3ccc(cc3)C(F)(F)F)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C37H34F6N2O5/c1-47-29-17-23-13-15-44(33(27(23)19-31(29)49-3)21-5-9-25(10-6-21)36(38,39)40)35(46)45-16-14-24-18-30(48-2)32(50-4)20-28(24)34(45)22-7-11-26(12-8-22)37(41,42)43/h5-12,17-20,33-34H,13-16H2,1-4H3/t33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium accumulation pr...				J Med Chem 59: 5661-83 (2016) Article DOI: 10.1021/acs.jmedchem.5b01448 BindingDB Entry DOI: 10.7270/Q2222Z8V
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317564 (4-(Trifluoromethyl)phenyl(1R,2S,5R)-2-isopropyl-5-...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C18H24F3NO2/c1-11(2)15-9-4-12(3)10-16(15)22-17(23)24-14-7-5-13(6-8-14)18(19,20)21/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,22,23)/t12-,15+,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582871 (CHEMBL5085083) Show SMILES Cc1c(COc2ncnc(NCCNS(C)(=O)=O)n2)cccc1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317563 (3-(Trifluoromethyl)phenyl(1R,2S,5R)-2-isopropyl-5-...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H24F3NO2/c1-11(2)15-8-7-12(3)9-16(15)22-17(23)24-14-6-4-5-13(10-14)18(19,20)21/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,22,23)/t12-,15+,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582873 (CHEMBL5074988) Show SMILES CC(=O)NCCNc1nc(Cl)nc(OCc2cccc(c2C)-c2ccccc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	315	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317560 (CHEMBL1095102 | N-[(1R,2S,5R)-2-Isopropyl-5-methyl...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C24H39NO/c1-19(2)22-17-16-20(3)18-23(22)25-24(26)15-11-6-4-5-8-12-21-13-9-7-10-14-21/h7,9-10,13-14,19-20,22-23H,4-6,8,11-12,15-18H2,1-3H3,(H,25,26)/t20-,22+,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317559 (CHEMBL1095101 | N-[(1R,2S,5R)-2-Isopropyl-5-methyl...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCCCCc1ccccc1 |r| Show InChI InChI=1S/C23H37NO/c1-18(2)21-16-15-19(3)17-22(21)24-23(25)14-10-5-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-13,18-19,21-22H,4-5,7,10-11,14-17H2,1-3H3,(H,24,25)/t19-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317559 (CHEMBL1095101 | N-[(1R,2S,5R)-2-Isopropyl-5-methyl...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCCCCc1ccccc1 |r| Show InChI InChI=1S/C23H37NO/c1-18(2)21-16-15-19(3)17-22(21)24-23(25)14-10-5-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-13,18-19,21-22H,4-5,7,10-11,14-17H2,1-3H3,(H,24,25)/t19-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50535866 (CHEMBL4588287) Show SMILES COc1cc2CCN([C@@H](c3ccc(Cl)cc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C35H34Cl2N2O5/c1-41-29-17-23-13-15-38(33(27(23)19-31(29)43-3)21-5-9-25(36)10-6-21)35(40)39-16-14-24-18-30(42-2)32(44-4)20-28(24)34(39)22-7-11-26(37)12-8-22/h5-12,17-20,33-34H,13-16H2,1-4H3/t33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium accumulation pr...				J Med Chem 59: 5661-83 (2016) Article DOI: 10.1021/acs.jmedchem.5b01448 BindingDB Entry DOI: 10.7270/Q2222Z8V
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317569 (3-Chlorophenyl-(1R,2S,5R)-2-isopropyl-5-methylcycl...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(Cl)c1 |r| Show InChI InChI=1S/C17H24ClNO2/c1-11(2)15-8-7-12(3)9-16(15)19-17(20)21-14-6-4-5-13(18)10-14/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,19,20)/t12-,15+,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317560 (CHEMBL1095102 | N-[(1R,2S,5R)-2-Isopropyl-5-methyl...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C24H39NO/c1-19(2)22-17-16-20(3)18-23(22)25-24(26)15-11-6-4-5-8-12-21-13-9-7-10-14-21/h7,9-10,13-14,19-20,22-23H,4-6,8,11-12,15-18H2,1-3H3,(H,25,26)/t20-,22+,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50535865 (CHEMBL4543647) Show SMILES COc1cc2CCN([C@@H](c3ccccc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C35H36N2O5/c1-39-29-19-25-15-17-36(33(23-11-7-5-8-12-23)27(25)21-31(29)41-3)35(38)37-18-16-26-20-30(40-2)32(42-4)22-28(26)34(37)24-13-9-6-10-14-24/h5-14,19-22,33-34H,15-18H2,1-4H3/t33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium accumulation pr...				J Med Chem 59: 5661-83 (2016) Article DOI: 10.1021/acs.jmedchem.5b01448 BindingDB Entry DOI: 10.7270/Q2222Z8V
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582872 (CHEMBL5084079) Show SMILES Cc1c(COc2ncnc(NCCS(N)(=O)=O)n2)cccc1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	551	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50317563 (3-(Trifluoromethyl)phenyl(1R,2S,5R)-2-isopropyl-5-...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H24F3NO2/c1-11(2)15-8-7-12(3)9-16(15)22-17(23)24-14-6-4-5-13(10-14)18(19,20)21/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,22,23)/t12-,15+,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation				Bioorg Med Chem Lett 20: 2729-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.076 BindingDB Entry DOI: 10.7270/Q27M083N
					More data for this Ligand-Target Pair

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