Compile Data Set for Download or QSAR

Found 996 hits with Last Name = 'onda' and Initial = 'k'   

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
Adenosine receptor A3 (Rattus norvegicus)	BDBM50453675 (CHEMBL2113400) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H16ClIN6O5/c1-21-16(30)12-10(27)11(28)17(31-12)26-6-22-9-13(24-18(19)25-14(9)26)23-15(29)7-3-2-4-8(20)5-7/h2-6,10-12,17,27-28H,1H3,(H,21,30)(H,23,24,25,29)/t10-,11+,12-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A3 receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50088439 (CHEMBL3526578) Show SMILES FCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.395	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A3 receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM204859 (US9227979, 7) Show SMILES Nc1nc2cccc(Cl)c2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-1-4-8-10(7)12-17-11(9-5-2-6-20-9)18-19(12)13(15)16-8/h1-6H,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50353747 (CHEMBL561013 | JWH-018) Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM86032 (trans-H2-PAT(-) | trans-PAT) Show SMILES CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50065036 (CHEMBL3402656) Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50065035 (CHEMBL3402657) Show SMILES Cl.CN(C)[C@@H]1C[C@@H](C2CCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204870 (EA7/MRS5816 | US9227979, 19) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCCC[NH3+])cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C25H28N10O3/c1-34-15-18-21(32-34)30-24(35-23(18)29-22(33-35)19-6-5-13-38-19)31-25(37)28-17-9-7-16(8-10-17)14-20(36)27-12-4-2-3-11-26/h5-10,13,15H,2-4,11-12,14,26H2,1H3,(H,27,36)(H2,28,30,31,32,37)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204863 (EA12/MRS5821 | US9227979, 12) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCC(=O)OC(C)(C)C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C28H31N9O5/c1-28(2,3)42-22(39)8-5-13-29-21(38)15-17-9-11-18(12-10-17)30-27(40)33-26-32-23-19(16-36(4)34-23)25-31-24(35-37(25)26)20-7-6-14-41-20/h6-7,9-12,14,16H,5,8,13,15H2,1-4H3,(H,29,38)(H2,30,32,33,34,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50065014 (CHEMBL3402677) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(F)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204864 (EA15/MRS5824 | US9227979, 13) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCCC(=O)OC(C)(C)C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C29H33N9O5/c1-29(2,3)43-23(40)9-5-6-14-30-22(39)16-18-10-12-19(13-11-18)31-28(41)34-27-33-24-20(17-37(4)35-24)26-32-25(36-38(26)27)21-8-7-15-42-21/h7-8,10-13,15,17H,5-6,9,14,16H2,1-4H3,(H,30,39)(H2,31,33,34,35,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM204859 (US9227979, 7) Show SMILES Nc1nc2cccc(Cl)c2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-1-4-8-10(7)12-17-11(9-5-2-6-20-9)18-19(12)13(15)16-8/h1-6H,(H2,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50065018 (CHEMBL3402673) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50065024 (CHEMBL3402667) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(F)cc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204879 (MRS5846/5762 5-hex-5-ynamide | US9227979, 37) Show SMILES Cn1cc2c(n1)nc(NC(=O)CCCC#C)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C17H15N7O2/c1-3-4-5-8-13(25)18-17-20-14-11(10-23(2)21-14)16-19-15(22-24(16)17)12-7-6-9-26-12/h1,6-7,9-10H,4-5,8H2,2H3,(H,18,20,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204865 (EA6/MRS5815 | US9227979, 14) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCCCC(=O)OC(C)(C)C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C30H35N9O5/c1-30(2,3)44-24(41)10-6-5-7-15-31-23(40)17-19-11-13-20(14-12-19)32-29(42)35-28-34-25-21(18-38(4)36-25)27-33-26(37-39(27)28)22-9-8-16-43-22/h8-9,11-14,16,18H,5-7,10,15,17H2,1-4H3,(H,31,40)(H2,32,34,35,36,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50065040 (CHEMBL3402682) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r| Show InChI InChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50065025 (CHEMBL3402666) Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204869 (EA16/MRS5825 | US9227979, 18) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCC[NH3+])cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C24H26N10O3/c1-33-14-17-20(31-33)29-23(34-22(17)28-21(32-34)18-5-4-12-37-18)30-24(36)27-16-8-6-15(7-9-16)13-19(35)26-11-3-2-10-25/h4-9,12,14H,2-3,10-11,13,25H2,1H3,(H,26,35)(H2,27,29,30,31,36)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204861 (MRS5449 | US9227979, 9) Show SMILES Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCCn3cc(CCCC(=O)Nc4nc5ccc(Cl)cc5c5nc(nn45)-c4ccco4)nn3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O |(12.16,7.64,;11.39,6.3,;9.85,6.3,;9.08,4.97,;9.85,3.64,;9.08,2.3,;7.54,2.3,;6.77,3.64,;5.23,3.64,;4.46,2.3,;5.23,.97,;6.77,.97,;7.54,-.36,;6.21,-1.13,;8.88,-1.13,;2.92,2.3,;2.15,.97,;2.15,3.64,;.61,3.64,;-.16,2.3,;.61,.97,;-.16,-.36,;-1.7,-.36,;-2.1,1.12,;-3.58,1.52,;-4.49,.28,;-5.95,.75,;-7.29,-.02,;-8.62,.75,;-9.95,-.02,;-11.29,.75,;-11.29,2.29,;-12.62,-.02,;-12.62,-1.56,;-13.96,-2.33,;-13.96,-3.87,;-15.29,-4.64,;-15.29,-6.18,;-13.96,-6.95,;-13.96,-8.49,;-12.62,-6.18,;-12.62,-4.64,;-11.29,-3.87,;-9.82,-4.34,;-8.92,-3.1,;-9.82,-1.85,;-11.29,-2.33,;-7.38,-3.1,;-6.47,-4.34,;-5.01,-3.87,;-5.01,-2.33,;-6.47,-1.85,;-5.95,2.29,;-4.49,2.77,;9.85,.97,;9.08,-.36,;9.85,-1.7,;11.39,-1.7,;12.16,-3.03,;12.16,-.36,;11.39,.97,;12.16,2.3,;11.39,3.64,;12.16,4.97,;13.7,4.97,;15.04,4.2,;14.47,6.3,;13.7,3.43,;13.7,-.36,;15.04,-1.13,;14.47,.97,;13.7,-1.9,)| Show InChI InChI=1S/C46H40ClN11O12S2/c47-25-11-17-34-31(22-25)43-53-42(35-8-6-20-69-35)55-58(43)46(51-34)52-36(59)9-5-7-26-23-57(56-54-26)19-4-2-1-3-18-50-44(60)24-10-12-27(30(21-24)45(61)62)37-28-13-15-32(48)40(71(63,64)65)38(28)70-39-29(37)14-16-33(49)41(39)72(66,67)68/h6,8,10-17,20-23,48H,1-5,7,9,18-19,49H2,(H,50,60)(H,61,62)(H,51,52,59)(H,63,64,65)(H,66,67,68)/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50065036 (CHEMBL3402656) Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204880 (EA18(5-hept-6-ynamide)/MRS5838 | US9227979, 38) Show SMILES Cn1cc2c(n1)nc(NC(=O)CCCCC#C)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H17N7O2/c1-3-4-5-6-9-14(26)19-18-21-15-12(11-24(2)22-15)17-20-16(23-25(17)18)13-8-7-10-27-13/h1,7-8,10-11H,4-6,9H2,2H3,(H,19,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50065018 (CHEMBL3402673) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50065016 (CHEMBL3402675) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50065026 (CHEMBL3402665) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(Cl)cc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50065023 (CHEMBL3402668) Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(F)cc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204874 (EA13/MRS5822 | US9227979, 17) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCC[NH3+])cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C23H24N10O3/c1-32-13-16-19(30-32)28-22(33-21(16)27-20(31-33)17-4-2-11-36-17)29-23(35)26-15-7-5-14(6-8-15)12-18(34)25-10-3-9-24/h2,4-8,11,13H,3,9-10,12,24H2,1H3,(H,25,34)(H2,26,28,29,30,35)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50065020 (CHEMBL3402671) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1 |r| Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50065022 (CHEMBL3402669) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-13-6-3-4-9-17(13)18(12-16)14-7-5-8-15(10-14)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50065016 (CHEMBL3402675) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50065038 (CHEMBL3402680) Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C20H31N.ClH/c1-21(2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-4-3-5-7-11-16;/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3;1H/t18-,20-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204872 (EA10/MRS5819 | US9227979, 21) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCOCCOOCCCCC[NH3+])cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C30H38N10O6/c1-39-20-23-26(37-39)35-29(40-28(23)34-27(38-40)24-7-5-15-44-24)36-30(42)33-22-10-8-21(9-11-22)19-25(41)32-13-6-14-43-17-18-46-45-16-4-2-3-12-31/h5,7-11,15,20H,2-4,6,12-14,16-19,31H2,1H3,(H,32,41)(H2,33,35,36,37,42)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204878 (EA19(5-pent-4-ynamide)/MRS5811 | US9227979, 36) Show SMILES Cn1cc2c(n1)nc(NC(=O)CCC#C)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C16H13N7O2/c1-3-4-7-12(24)17-16-19-13-10(9-22(2)20-13)15-18-14(21-23(15)16)11-6-5-8-25-11/h1,5-6,8-9H,4,7H2,2H3,(H,17,19,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50453671 (CHEMBL2113701) Show SMILES [H][C@]12OC(=S)O[C@@]1([H])[C@@H](O[C@@H]2C(=O)NC)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H16ClIN6O4S/c1-22-16(28)12-11-13(31-19(32)30-11)17(29-12)27-7-24-10-14(25-18(20)26-15(10)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,11-13,17H,6H2,1H3,(H,22,28)(H,23,25,26)/t11-,12+,13-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A3 receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204881 (EA20(5-oct-7-ynamide)/MRS5840 | US9227979, 39) Show SMILES Cn1cc2c(n1)nc(NC(=O)CCCCCC#C)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H19N7O2/c1-3-4-5-6-7-10-15(27)20-19-22-16-13(12-25(2)23-16)18-21-17(24-26(18)19)14-9-8-11-28-14/h1,8-9,11-12H,4-7,10H2,2H3,(H,20,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50088440 (CHEMBL3526291) Show SMILES CC(O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO2/c1-17(26)8-7-15-25-16-22(20-12-4-5-14-23(20)25)24(27)21-13-6-10-18-9-2-3-11-19(18)21/h2-6,9-14,16-17,26H,7-8,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM60994 ((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...) Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM204871 (EA4/MRS5813 | US9227979, 20) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCOOCCCC[NH3+])cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C26H30N10O5/c1-35-16-19-22(33-35)31-25(36-24(19)30-23(34-36)20-5-4-12-39-20)32-26(38)29-18-8-6-17(7-9-18)15-21(37)28-11-14-41-40-13-3-2-10-27/h4-9,12,16H,2-3,10-11,13-15,27H2,1H3,(H,28,37)(H2,29,31,32,33,38)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by The Secretary, Department of Health and Human Services; Universita Degli Studi Di Trieste; Universita Degli Studi Di Padova US Patent					Assay Description Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 20...				US Patent US9227979 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VMN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50065036 (CHEMBL3402656) Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50065036 (CHEMBL3402656) Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50065018 (CHEMBL3402673) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50065021 (CHEMBL3402670) Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-13-6-3-4-9-17(13)18(12-16)14-7-5-8-15(10-14)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM86032 (trans-H2-PAT(-) | trans-PAT) Show SMILES CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50065038 (CHEMBL3402680) Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C20H31N.ClH/c1-21(2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-4-3-5-7-11-16;/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3;1H/t18-,20-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50065016 (CHEMBL3402675) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50065028 (CHEMBL3402664) Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(Br)cc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50065038 (CHEMBL3402680) Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C20H31N.ClH/c1-21(2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-4-3-5-7-11-16;/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3;1H/t18-,20-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM86029 (trans-H2-PAT(+)) Show SMILES CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50065018 (CHEMBL3402673) Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 996 total )  |  Next  |  Last  >>

Jump to: