Compile Data Set for Download or QSAR

Found 545 hits with Last Name = 'ortiz' and Initial = 'a'   

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))	BDBM50136402 (CHEMBL136531 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM472930 ((R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...) Show SMILES CCCc1ccnc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-6-7-16-14-13(11)5-4-12-10-15-8-9-17(12)14/h6-7,12,15H,2-5,8-10H2,1H3/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127872 BindingDB Entry DOI: 10.7270/Q2SF30VK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136400 (CHEMBL343825 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H20N2O2/c1-2-15(18)16-11-6-8-17(10-11)13-4-3-5-14-12(13)7-9-19-14/h3-5,11H,2,6-10H2,1H3,(H,16,18)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50459718 (CHEMBL4213379 | US10836764, Compound 106) Show SMILES [H][C@]12CCc3c(Cc4ccccc4)ccnc3N1CCNC2 |r| Show InChI InChI=1S/C18H21N3/c1-2-4-14(5-3-1)12-15-8-9-20-18-17(15)7-6-16-13-19-10-11-21(16)18/h1-5,8-9,16,19H,6-7,10-13H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127872 BindingDB Entry DOI: 10.7270/Q2SF30VK
					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 PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136402 (CHEMBL136531 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50557505 (CHEMBL4776557) Show SMILES [H][C@]12CCc3c(CCC)cccc3N1CCNC2 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127872 BindingDB Entry DOI: 10.7270/Q2SF30VK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136400 (CHEMBL343825 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H20N2O2/c1-2-15(18)16-11-6-8-17(10-11)13-4-3-5-14-12(13)7-9-19-14/h3-5,11H,2,6-10H2,1H3,(H,16,18)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
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 PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136409 (1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222885 (6-(4-fluorophenoxy)-3-[(1-isopropylpiperidin-3-yl)...) Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1 |w:7.7| Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM473021 ((R)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...) Show SMILES C(c1ccccc1)c1cncc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C18H21N3/c1-2-4-14(5-3-1)10-15-11-20-13-18-17(15)7-6-16-12-19-8-9-21(16)18/h1-5,11,13,16,19H,6-10,12H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127872 BindingDB Entry DOI: 10.7270/Q2SF30VK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50459713 (CHEMBL4213447 | US10836764, Compound 176) Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 |r| Show InChI InChI=1S/C16H23N3/c1-2-12(3-1)10-13-6-7-18-16-15(13)5-4-14-11-17-8-9-19(14)16/h6-7,12,14,17H,1-5,8-11H2/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127872 BindingDB Entry DOI: 10.7270/Q2SF30VK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM472931 ((R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H- pyrazin...) Show SMILES CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C15H23N3/c1-11(2)9-12-5-6-17-15-14(12)4-3-13-10-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127872 BindingDB Entry DOI: 10.7270/Q2SF30VK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136409 (1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the 5-hydroxytryptamine 2A receptor by the inhibition of [3H]-ketanserin binding to rat cortex using unlabeled mianserin...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222867 ((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...) Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1 Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136405 (1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CNC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H19N3O2/c1-15-14(18)16-10-5-7-17(9-10)12-3-2-4-13-11(12)6-8-19-13/h2-4,10H,5-9H2,1H3,(H2,15,16,18)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222875 (6-(4-fluorophenoxy)-2-(2-methylphenyl)-3-(piperidi...) Show SMILES Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1CC1CCCNC1 |w:27.30| Show InChI InChI=1S/C27H26FN3O2/c1-18-5-2-3-7-23(18)26-30-25-13-12-22(33-21-10-8-20(28)9-11-21)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222867 ((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...) Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1 Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136405 (1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CNC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H19N3O2/c1-15-14(18)16-10-5-7-17(9-10)12-3-2-4-13-11(12)6-8-19-13/h2-4,10H,5-9H2,1H3,(H2,15,16,18)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136398 (CHEMBL336268 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-11-5-7-16(9-11)13-3-2-4-14-12(13)6-8-18-14/h2-4,11H,5-9H2,1H3,(H,15,17)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2706-11 (2007) Article DOI: 10.1016/j.bmcl.2007.03.011 BindingDB Entry DOI: 10.7270/Q2H70FGB
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136403 (CHEMBL139439 | Cyclopropanecarboxylic acid [(S)-1-...) Show SMILES O=C(N[C@H]1CCN(C1)c1cccc2OCCc12)C1CC1 Show InChI InChI=1S/C16H20N2O2/c19-16(11-4-5-11)17-12-6-8-18(10-12)14-2-1-3-15-13(14)7-9-20-15/h1-3,11-12H,4-10H2,(H,17,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50459718 (CHEMBL4213379 | US10836764, Compound 106) Show SMILES [H][C@]12CCc3c(Cc4ccccc4)ccnc3N1CCNC2 |r| Show InChI InChI=1S/C18H21N3/c1-2-4-14(5-3-1)12-15-8-9-20-18-17(15)7-6-16-13-19-10-11-21(16)18/h1-5,8-9,16,19H,6-7,10-13H2/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DOI from recombinant human 5HT2AR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127872 BindingDB Entry DOI: 10.7270/Q2SF30VK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136398 (CHEMBL336268 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-11-5-7-16(9-11)13-3-2-4-14-12(13)6-8-18-14/h2-4,11H,5-9H2,1H3,(H,15,17)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the sigma receptor by the inhibition of [3H]-3-PPP binding to guinea pig cerebellum using unlabeled 3-PPP for nonspecifi...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50459708 (CHEMBL4206126 | US10836764, Compound 152) Show SMILES [H][C@]12CCc3c(CCC(F)(F)F)ccnc3N1CCNC2 |r| Show InChI InChI=1S/C14H18F3N3/c15-14(16,17)5-3-10-4-6-19-13-12(10)2-1-11-9-18-7-8-20(11)13/h4,6,11,18H,1-3,5,7-9H2/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127872 BindingDB Entry DOI: 10.7270/Q2SF30VK
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222859 (6-(4-chlorophenyl)-3-{[(3S)-1-ethylpiperidin-3-yl]...) Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1 Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3/t21-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222873 (6-(4-chlorophenyl)-3-[(1-isopropylpiperidin-3-yl)m...) Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1 |w:7.7| Show InChI InChI=1S/C30H32ClN3O/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-12-24(17-27(28)30(34)35)23-10-13-25(31)14-11-23/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222884 (6-(4-chlorophenyl)-3-[(-1-ethylpiperidin-3-yl)meth...) Show SMILES CCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1 |w:6.6| Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the 5-hydroxytryptamine 2A receptor by the inhibition of [3H]-ketanserin binding to rat cortex using unlabeled mianserin...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50208974 (CHEMBL390543 | N-cyclohexyl-2-(2,4-dichlorophenyl)...) Show SMILES Cc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H23Cl2N3O/c1-15-7-10-18(11-8-15)28-14-21(23(29)26-17-5-3-2-4-6-17)27-22(28)19-12-9-16(24)13-20(19)25/h7-14,17H,2-6H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2706-11 (2007) Article DOI: 10.1016/j.bmcl.2007.03.011 BindingDB Entry DOI: 10.7270/Q2H70FGB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50557506 (CHEMBL4757718) Show SMILES [H][C@]12CCc3c(CCC(F)(F)F)cccc3N1CCNC2 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127872 BindingDB Entry DOI: 10.7270/Q2SF30VK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50459712 (CHEMBL4218374 | US10836764, Compound 173) Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127872 BindingDB Entry DOI: 10.7270/Q2SF30VK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136401 (1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCNC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136397 (1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H19N3O2/c1-15-14(18)16-10-5-7-17(9-10)12-3-2-4-13-11(12)6-8-19-13/h2-4,10H,5-9H2,1H3,(H2,15,16,18)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50198507 (2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-methyl...) Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(-4.72,3.29,;-4.23,1.83,;-2.75,1.36,;-2.75,-.19,;-1.41,-.96,;-.07,-.19,;-.07,1.36,;1.26,2.13,;2.6,1.34,;3.93,2.11,;3.94,3.65,;2.61,4.42,;1.26,3.66,;-1.41,2.14,;-1.41,3.68,;-4.22,-.67,;-5.13,.57,;-6.67,.56,;-7.45,1.88,;-8.98,1.87,;-9.74,.53,;-11.28,.52,;-8.96,-.8,;-7.42,-.78,;-4.68,-2.14,;-6.19,-2.46,;-6.66,-3.93,;-5.62,-5.07,;-6.09,-6.53,;-4.11,-4.73,;-3.65,-3.27,;-2.15,-2.93,)| Show InChI InChI=1S/C25H24Cl3N3O/c1-16-23-22(11-14-30(25(23)32)29-12-3-2-4-13-29)31(21-10-9-19(27)15-20(21)28)24(16)17-5-7-18(26)8-6-17/h5-10,15H,2-4,11-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells				Bioorg Med Chem Lett 17: 673-8 (2007) Article DOI: 10.1016/j.bmcl.2006.10.095 BindingDB Entry DOI: 10.7270/Q2M9089N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50208948 (2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl...) Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C22H21Cl2N3O/c23-15-10-12-17(13-11-15)27-14-20(22(28)25-16-6-2-1-3-7-16)26-21(27)18-8-4-5-9-19(18)24/h4-5,8-14,16H,1-3,6-7H2,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2706-11 (2007) Article DOI: 10.1016/j.bmcl.2007.03.011 BindingDB Entry DOI: 10.7270/Q2H70FGB
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the Alpha-1A adrenergic receptor by the inhibition of [3H]-prazosin binding to rat cortex using unlabeled WB-4101 for no...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM473021 ((R)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...) Show SMILES C(c1ccccc1)c1cncc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C18H21N3/c1-2-4-14(5-3-1)10-15-11-20-13-18-17(15)7-6-16-12-19-8-9-21(16)18/h1-5,11,13,16,19H,6-10,12H2/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DOI from recombinant human 5HT2AR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127872 BindingDB Entry DOI: 10.7270/Q2SF30VK
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222863 (6-(4-chlorophenyl)-3-[(1-cyclobutylpiperidin-3-yl)...) Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(C1)C1CCC1)-c1ccc(Cl)cc1 |w:19.21| Show InChI InChI=1S/C31H32ClN3O/c1-21-6-2-3-10-27(21)30-33-29-16-13-24(23-11-14-25(32)15-12-23)18-28(29)31(36)35(30)20-22-7-5-17-34(19-22)26-8-4-9-26/h2-3,6,10-16,18,22,26H,4-5,7-9,17,19-20H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136407 (CHEMBL139497 | N-[(S)-1-(3-Methoxy-phenyl)-pyrroli...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc(OC)c1 Show InChI InChI=1S/C15H22N2O2/c1-3-5-15(18)16-12-8-9-17(11-12)13-6-4-7-14(10-13)19-2/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,16,18)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136412 (1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H23N3O2/c1-2-8-17-16(20)18-12-6-9-19(11-12)14-4-3-5-15-13(14)7-10-21-15/h3-5,12H,2,6-11H2,1H3,(H2,17,18,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50109179 (4-[3-(3-{3-[4-(3-Hydroxy-phenyl)-piperidin-1-yl]-p...) Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(O)c2)c1 |c:13,t:10| Show InChI InChI=1S/C32H40N4O6/c1-20-27(30(38)41-3)29(28(21(2)34-20)31(39)42-4)24-9-5-10-25(18-24)35-32(40)33-14-7-15-36-16-12-22(13-17-36)23-8-6-11-26(37)19-23/h5-6,8-11,18-19,22,27,29,37H,7,12-17H2,1-4H3,(H2,33,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane				Bioorg Med Chem Lett 12: 379-82 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50198532 (1-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl...) Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl |(26.26,-34.21,;26.75,-35.67,;28.23,-36.14,;28.24,-37.69,;29.57,-38.46,;30.91,-37.69,;30.91,-36.14,;32.25,-35.37,;33.58,-36.16,;34.91,-35.39,;34.92,-33.85,;33.59,-33.08,;32.25,-33.84,;29.57,-35.36,;29.57,-33.82,;26.77,-38.17,;25.85,-36.93,;24.31,-36.94,;23.54,-35.62,;22,-35.63,;21.24,-36.97,;19.7,-36.98,;22.03,-38.3,;23.56,-38.28,;26.3,-39.64,;24.79,-39.96,;24.32,-41.43,;25.36,-42.57,;26.87,-42.23,;27.33,-40.77,;28.84,-40.43,)| Show InChI InChI=1S/C26H26Cl2N2O/c1-17-24-23(15-16-29(26(24)31)20-7-3-2-4-8-20)30(22-10-6-5-9-21(22)28)25(17)18-11-13-19(27)14-12-18/h5-6,9-14,20H,2-4,7-8,15-16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells				Bioorg Med Chem Lett 17: 673-8 (2007) Article DOI: 10.1016/j.bmcl.2006.10.095 BindingDB Entry DOI: 10.7270/Q2M9089N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136403 (CHEMBL139439 | Cyclopropanecarboxylic acid [(S)-1-...) Show SMILES O=C(N[C@H]1CCN(C1)c1cccc2OCCc12)C1CC1 Show InChI InChI=1S/C16H20N2O2/c19-16(11-4-5-11)17-12-6-8-18(10-12)14-2-1-3-15-13(14)7-9-20-15/h1-3,11-12H,4-10H2,(H,17,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50109122 (4-[3-(3-{3-[4-(3-Methoxy-phenyl)-piperidin-1-yl]-p...) Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(OC)c2)c1 |c:13,t:10| Show InChI InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3/h6-7,9-12,19-20,23,28,30H,8,13-18H2,1-5H3,(H2,34,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane				Bioorg Med Chem Lett 12: 379-82 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50198519 (1-(2-chlorophenyl)-2-(4-chlorophenyl)-3-methyl-5-(...) Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl |(-.3,-22.8,;.19,-24.26,;1.67,-24.73,;1.68,-26.28,;3.01,-27.05,;4.35,-26.28,;4.35,-24.73,;5.68,-23.96,;7.02,-24.75,;8.35,-23.99,;8.36,-22.45,;7.03,-21.67,;5.69,-22.44,;3.01,-23.95,;3.01,-22.41,;.2,-26.76,;-.71,-25.52,;-2.25,-25.54,;-3.02,-24.21,;-4.56,-24.22,;-5.32,-25.56,;-6.86,-25.58,;-4.53,-26.89,;-3,-26.87,;-.26,-28.23,;-1.77,-28.55,;-2.24,-30.02,;-1.2,-31.16,;.31,-30.82,;.77,-29.36,;2.27,-29.02,)| Show InChI InChI=1S/C25H25Cl2N3O/c1-17-23-22(13-16-29(25(23)31)28-14-5-2-6-15-28)30(21-8-4-3-7-20(21)27)24(17)18-9-11-19(26)12-10-18/h3-4,7-12H,2,5-6,13-16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells				Bioorg Med Chem Lett 17: 673-8 (2007) Article DOI: 10.1016/j.bmcl.2006.10.095 BindingDB Entry DOI: 10.7270/Q2M9089N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50208975 (1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-((1...) Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@@H]1O Show InChI InChI=1S/C24H25BrClN3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2706-11 (2007) Article DOI: 10.1016/j.bmcl.2007.03.011 BindingDB Entry DOI: 10.7270/Q2H70FGB
					More data for this Ligand-Target Pair

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