Compile Data Set for Download or QSAR

Found 461 hits with Last Name = 'simpson' and Initial = 'r'   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50182020 (2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...) Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Agonist activity assessed by stimulation of [35S]GTP-gamma-S binding to human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 2101-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.052 BindingDB Entry DOI: 10.7270/Q2ZC82FS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054826 (CHEMBL144474 | [7-([4,4']Bipiperidinyl-1-carbonyl)...) Show SMILES OC(=O)CC1Nc2ccc(cc2CN(CCc2ccccc2)C1=O)C(=O)N1CCC(CC1)C1CCNCC1 Show InChI InChI=1S/C30H38N4O4/c35-28(36)19-27-30(38)34(15-10-21-4-2-1-3-5-21)20-25-18-24(6-7-26(25)32-27)29(37)33-16-11-23(12-17-33)22-8-13-31-14-9-22/h1-7,18,22-23,27,31-32H,8-17,19-20H2,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054827 (CHEMBL85094 | SB-208651 | {8-[(4-Carbamimidoyl-phe...) Show SMILES CN(C(=O)c1ccc2CN(CCc3ccccc3)C(=O)C(CC(O)=O)Nc2c1)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C28H29N5O4/c1-32(22-11-9-19(10-12-22)26(29)30)27(36)20-7-8-21-17-33(14-13-18-5-3-2-4-6-18)28(37)24(16-25(34)35)31-23(21)15-20/h2-12,15,24,31H,13-14,16-17H2,1H3,(H3,29,30)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054830 (CHEMBL356986 | [(R)-7-([4,4']Bipiperidinyl-1-carbo...) Show SMILES CN1Cc2cc(ccc2N[C@H](CC(O)=O)C1=O)C(=O)N1CCC(CC1)C1CCNCC1 Show InChI InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50036088 (CHEMBL18734 | [(6S,13S)-13-(3-Guanidino-propyl)-14...) Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C1=O Show InChI InChI=1S/C26H31N7O6S2/c1-33-18(9-6-12-29-26(27)28)24(38)30-14-21(34)31-17(13-22(35)36)23(37)32-16-8-3-5-11-20(16)41-40-19-10-4-2-7-15(19)25(33)39/h2-5,7-8,10-11,17-18H,6,9,12-14H2,1H3,(H,30,38)(H,31,34)(H,32,37)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50036089 (CHEMBL18288 | [8-(4-Carbamimidoyl-phenylcarbamoyl)...) Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3CN(CCc4ccccc4)C(=O)C(CC(O)=O)Nc3c2)cc1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-8-10-21(11-9-18)30-26(35)19-6-7-20-16-32(13-12-17-4-2-1-3-5-17)27(36)23(15-24(33)34)31-22(20)14-19/h1-11,14,23,31H,12-13,15-16H2,(H3,28,29)(H,30,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054831 (CHEMBL143219 | [7-([4,4']Bipiperidinyl-1-carbonyl)...) Show SMILES CN1Cc2cc(ccc2NC(CC(O)=O)C1=O)C(=O)N1CCC(CC1)C1CCNCC1 Show InChI InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 22 member 1 (BOVINE)	BDBM86757 (CAS_0 | NSC_11603174 | [11C]MMP) Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by PDSP Ki Database									Eur J Nucl Med Mol Imaging 34: 1050-60 (2007) Article DOI: 10.1007/s00259-006-0324-y BindingDB Entry DOI: 10.7270/Q2D7990W
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054824 (CHEMBL144681 | {7-[Methyl-(3-piperidin-4-yl-propyl...) Show SMILES CN(CCCC1CCNCC1)C(=O)c1ccc2NC(CC(O)=O)C(=O)N(CCc3ccccc3)Cc2c1 Show InChI InChI=1S/C29H38N4O4/c1-32(16-5-8-22-11-14-30-15-12-22)28(36)23-9-10-25-24(18-23)20-33(17-13-21-6-3-2-4-7-21)29(37)26(31-25)19-27(34)35/h2-4,6-7,9-10,18,22,26,30-31H,5,8,11-17,19-20H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to dopamine D4 receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to human 5HT7 receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (BOVINE)	BDBM86757 (CAS_0 | NSC_11603174 | [11C]MMP) Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	12.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by PDSP Ki Database									Eur J Nucl Med Mol Imaging 34: 1050-60 (2007) Article DOI: 10.1007/s00259-006-0324-y BindingDB Entry DOI: 10.7270/Q2D7990W
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (BOVINE)	BDBM86757 (CAS_0 | NSC_11603174 | [11C]MMP) Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	15.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by PDSP Ki Database									Eur J Nucl Med Mol Imaging 34: 1050-60 (2007) Article DOI: 10.1007/s00259-006-0324-y BindingDB Entry DOI: 10.7270/Q2D7990W
					More data for this Ligand-Target Pair
Dopamine receptor D4 (BOVINE)	BDBM86757 (CAS_0 | NSC_11603174 | [11C]MMP) Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	21.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by PDSP Ki Database									Eur J Nucl Med Mol Imaging 34: 1050-60 (2007) Article DOI: 10.1007/s00259-006-0324-y BindingDB Entry DOI: 10.7270/Q2D7990W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha-2C receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054829 (CHEMBL306110 | [7-(3-Carbamimidoyl-phenylcarbamoyl...) Show SMILES NC(=N)c1cccc(NC(=O)c2ccc3NC(CC(O)=O)C(=O)N(CCc4ccccc4)Cc3c2)c1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-7-4-8-21(14-18)30-26(35)19-9-10-22-20(13-19)16-32(12-11-17-5-2-1-3-6-17)27(36)23(31-22)15-24(33)34/h1-10,13-14,23,31H,11-12,15-16H2,(H3,28,29)(H,30,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha-1 receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50182020 (2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...) Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to 5HT2B receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 2101-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.052 BindingDB Entry DOI: 10.7270/Q2ZC82FS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50438565 (CHEMBL2413153) Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Medical Center Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor (unknown origin)				Bioorg Med Chem 21: 5598-604 (2013) Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM86757 (CAS_0 | NSC_11603174 | [11C]MMP) Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Medical Center Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Bioorg Med Chem 21: 5598-604 (2013) Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG
					More data for this Ligand-Target Pair
AP-4 complex subunit sigma-1 (BOVINE)	BDBM86757 (CAS_0 | NSC_11603174 | [11C]MMP) Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	59.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by PDSP Ki Database									Eur J Nucl Med Mol Imaging 34: 1050-60 (2007) Article DOI: 10.1007/s00259-006-0324-y BindingDB Entry DOI: 10.7270/Q2D7990W
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta-2 receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to dopamine D3 receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (BOVINE)	BDBM86757 (CAS_0 | NSC_11603174 | [11C]MMP) Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	73.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by PDSP Ki Database									Eur J Nucl Med Mol Imaging 34: 1050-60 (2007) Article DOI: 10.1007/s00259-006-0324-y BindingDB Entry DOI: 10.7270/Q2D7990W
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM86757 (CAS_0 | NSC_11603174 | [11C]MMP) Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	88.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by PDSP Ki Database									Eur J Nucl Med Mol Imaging 34: 1050-60 (2007) Article DOI: 10.1007/s00259-006-0324-y BindingDB Entry DOI: 10.7270/Q2D7990W
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054828 (CHEMBL143394 | {7-[(3-Carbamimidoyl-phenyl)-methyl...) Show SMILES CN(C(=O)c1ccc2NC(CC(O)=O)C(=O)N(CCc3ccccc3)Cc2c1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C28H29N5O4/c1-32(22-9-5-8-19(15-22)26(29)30)27(36)20-10-11-23-21(14-20)17-33(13-12-18-6-3-2-4-7-18)28(37)24(31-23)16-25(34)35/h2-11,14-15,24,31H,12-13,16-17H2,1H3,(H3,29,30)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (BOVINE)	BDBM86757 (CAS_0 | NSC_11603174 | [11C]MMP) Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by PDSP Ki Database									Eur J Nucl Med Mol Imaging 34: 1050-60 (2007) Article DOI: 10.1007/s00259-006-0324-y BindingDB Entry DOI: 10.7270/Q2D7990W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50182020 (2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...) Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to alpha 2C adrenergic receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 2101-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.052 BindingDB Entry DOI: 10.7270/Q2ZC82FS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
AP-3 complex subunit sigma-2 (BOVINE)	BDBM86757 (CAS_0 | NSC_11603174 | [11C]MMP) Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by PDSP Ki Database									Eur J Nucl Med Mol Imaging 34: 1050-60 (2007) Article DOI: 10.1007/s00259-006-0324-y BindingDB Entry DOI: 10.7270/Q2D7990W
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50182020 (2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...) Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to sigma1 opioid receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 2101-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.052 BindingDB Entry DOI: 10.7270/Q2ZC82FS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50182020 (2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...) Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to 5HT1B receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 2101-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.052 BindingDB Entry DOI: 10.7270/Q2ZC82FS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to human 5HT5A receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (BOVINE)	BDBM86757 (CAS_0 | NSC_11603174 | [11C]MMP) Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	238	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by PDSP Ki Database									Eur J Nucl Med Mol Imaging 34: 1050-60 (2007) Article DOI: 10.1007/s00259-006-0324-y BindingDB Entry DOI: 10.7270/Q2D7990W
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50182020 (2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...) Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to alpha 2A adrenergic receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 2101-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.052 BindingDB Entry DOI: 10.7270/Q2ZC82FS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50156071 (3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...) Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from human mGluR5				Bioorg Med Chem Lett 20: 7381-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.036 BindingDB Entry DOI: 10.7270/Q27S7P13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H2 receptor (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to histamine H2 receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha-2B receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50182020 (2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...) Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	328	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to 5HT7 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 2101-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.052 BindingDB Entry DOI: 10.7270/Q2ZC82FS
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50182020 (2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...) Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	378	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to alpha 1B adrenergic receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 2101-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.052 BindingDB Entry DOI: 10.7270/Q2ZC82FS
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to DAT				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50182020 (2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...) Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to alpha 1A adrenergic receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 2101-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.052 BindingDB Entry DOI: 10.7270/Q2ZC82FS
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	476	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta-1 receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50180054 (CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...) Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Binding affinity to sigma1 receptor				J Med Chem 49: 125-34 (2006) Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50438565 (CHEMBL2413153) Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	512	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Medical Center Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin)				Bioorg Med Chem 21: 5598-604 (2013) Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG
					More data for this Ligand-Target Pair

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