Compile Data Set for Download or QSAR

Found 885 hits with Last Name = 'clarke' and Initial = 'e'   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50220746 (CHEMBL292189) Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C Show InChI InChI=1S/C21H27F3N4O3/c1-15-16(2)25-20(30)28(19(15)29)9-5-8-26-10-12-27(13-11-26)17-6-3-4-7-18(17)31-14-21(22,23)24/h3-4,6-7H,5,8-14H2,1-2H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50220747 (CHEMBL56863) Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C23H25F3N4O3/c24-23(25,26)16-33-20-9-4-3-8-19(20)29-14-12-28(13-15-29)10-5-11-30-21(31)17-6-1-2-7-18(17)27-22(30)32/h1-4,6-9H,5,10-16H2,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408198 (CHEMBL91278) Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1OCC1CC1 Show InChI InChI=1S/C25H35N5O2/c1-28(2)25(31)21-7-5-12-26-24(21)27-13-6-14-29-15-17-30(18-16-29)22-8-3-4-9-23(22)32-19-20-10-11-20/h3-5,7-9,12,20H,6,10-11,13-19H2,1-2H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50060964 ((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...) Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408201 (CHEMBL88512) Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1 Show InChI InChI=1S/C20H27N5O2/c1-27-18-8-3-2-7-17(18)25-14-12-24(13-15-25)11-5-10-23-20-16(19(21)26)6-4-9-22-20/h2-4,6-9H,5,10-15H2,1H3,(H2,21,26)(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50220750 (CHEMBL55695) Show SMILES Cc1c[nH]c(=O)n(CCCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C21H26F4N4O3/c1-15-13-26-20(31)29(19(15)30)7-3-2-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203205 ((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50160161 (5-Methyl-3-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-pheny...) Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C20H25F3N4O3/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50220788 (CHEMBL417954) Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(F)c3=O)CC2)c(OCC(F)(F)F)c1 Show InChI InChI=1S/C19H21F5N4O3/c20-13-2-3-15(16(10-13)31-12-19(22,23)24)27-8-6-26(7-9-27)4-1-5-28-17(29)14(21)11-25-18(28)30/h2-3,10-11H,1,4-9,12H2,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 7 receptor in HEK 293 cells using [3H]5-CT as the radioligand (n...				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50220744 (CHEMBL55290) Show SMILES Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C19H24F3N5O3/c1-14-17(28)27(18(29)24-23-14)8-4-7-25-9-11-26(12-10-25)15-5-2-3-6-16(15)30-13-19(20,21)22/h2-3,5-6H,4,7-13H2,1H3,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50403846 (CHEMBL356021) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCCc2ccc(Br)cc12 Show InChI InChI=1S/C20H24BrN3O3S/c1-27-20-7-6-17(14-19(20)23-11-8-22-9-12-23)28(25,26)24-10-2-3-15-4-5-16(21)13-18(15)24/h4-7,13-14,22H,2-3,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086063 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cnccc3C)c2cc1C(F)(F)F Show InChI InChI=1S/C24H22F3N3O2/c1-14-4-5-17(11-18(14)19-13-28-8-6-15(19)2)29-23(31)30-9-7-16-10-22(32-3)20(12-21(16)30)24(25,26)27/h4-6,8,10-13H,7,9H2,1-3H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.				J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408248 (CHEMBL330060) Show SMILES COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1 Show InChI InChI=1S/C23H32N4O2/c1-25(2)23(28)19-9-4-5-10-20(19)24-13-8-14-26-15-17-27(18-16-26)21-11-6-7-12-22(21)29-3/h4-7,9-12,24H,8,13-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408246 (CHEMBL92261) Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-24(2,3)22(29)19-9-7-12-25-23(19)26-13-8-14-27-15-17-28(18-16-27)20-10-5-6-11-21(20)30-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50209744 ((R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmet...) Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells				J Med Chem 50: 2200-12 (2007) Article DOI: 10.1021/jm070055c BindingDB Entry DOI: 10.7270/Q2MS3SG2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086073 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cnccc3C)c2cc1C(F)(F)F Show InChI InChI=1S/C22H19F3N4O2/c1-13-3-5-26-12-17(13)15-7-16(11-27-10-15)28-21(30)29-6-4-14-8-20(31-2)18(9-19(14)29)22(23,24)25/h3,5,7-12H,4,6H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.				J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086068 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3cc4CCOc4c(c3)-c3cccnc3)c2cc1C(F)(F)F Show InChI InChI=1S/C24H20F3N3O3/c1-32-21-10-14-4-7-30(20(14)12-19(21)24(25,26)27)23(31)29-17-9-15-5-8-33-22(15)18(11-17)16-3-2-6-28-13-16/h2-3,6,9-13H,4-5,7-8H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.				J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086064 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1ccc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc1-c1cccnc1 Show InChI InChI=1S/C23H20F3N3O3/c1-31-20-6-5-16(11-17(20)15-4-3-8-27-13-15)28-22(30)29-9-7-14-10-21(32-2)18(12-19(14)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.				J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50220785 (CHEMBL293149) Show SMILES Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C19H22F4N4O3/c1-13-11-24-18(29)27(17(13)28)9-6-25-4-7-26(8-5-25)15-3-2-14(20)10-16(15)30-12-19(21,22)23/h2-3,10-11H,4-9,12H2,1H3,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50033112 (6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...) Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50403839 (CHEMBL155717) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(Br)c1 Show InChI InChI=1S/C17H19Br2N3O3S/c1-25-17-3-2-15(11-16(17)22-6-4-20-5-7-22)26(23,24)21-14-9-12(18)8-13(19)10-14/h2-3,8-11,20-21H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50403851 (CHEMBL346338) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cccc(I)c1 Show InChI InChI=1S/C17H20IN3O3S/c1-24-17-6-5-15(12-16(17)21-9-7-19-8-10-21)25(22,23)20-14-4-2-3-13(18)11-14/h2-6,11-12,19-20H,7-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50403850 (CHEMBL157454) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2c(Cl)ccc(Cl)c2C1 Show InChI InChI=1S/C20H23Cl2N3O3S/c1-28-20-5-2-14(12-19(20)24-10-7-23-8-11-24)29(26,27)25-9-6-15-16(13-25)18(22)4-3-17(15)21/h2-5,12,23H,6-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086053 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cnccc3C)c2cc1C(F)(F)F Show InChI InChI=1S/C23H20F3N3O2/c1-14-6-8-27-13-18(14)15-4-3-5-17(10-15)28-22(30)29-9-7-16-11-21(31-2)19(12-20(16)29)23(24,25)26/h3-6,8,10-13H,7,9H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.				J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001275 (CHEMBL280465) Show SMILES COc1cc2CCN(C(=O)Nc3cc(F)c(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F Show InChI InChI=1S/C23H19F4N3O2/c1-13-17(15-4-3-6-28-12-15)9-16(10-19(13)24)29-22(31)30-7-5-14-8-21(32-2)18(11-20(14)30)23(25,26)27/h3-4,6,8-12H,5,7H2,1-2H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.				J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086059 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccncc3)c2cc1C(F)(F)F Show InChI InChI=1S/C21H17F3N4O2/c1-30-19-9-14-4-7-28(18(14)10-17(19)21(22,23)24)20(29)27-16-8-15(11-26-12-16)13-2-5-25-6-3-13/h2-3,5-6,8-12H,4,7H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.				J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086071 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F Show InChI InChI=1S/C22H19F3N4O3/c1-13-18(4-3-8-26-13)32-20-6-5-15(12-27-20)28-21(30)29-9-7-14-10-19(31-2)16(11-17(14)29)22(23,24)25/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.				J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086055 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES CCc1cc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc(c1)-c1cccnc1 Show InChI InChI=1S/C24H22F3N3O2/c1-3-15-9-18(17-5-4-7-28-14-17)11-19(10-15)29-23(31)30-8-6-16-12-22(32-2)20(13-21(16)30)24(25,26)27/h4-5,7,9-14H,3,6,8H2,1-2H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.				J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086067 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3ccc(Cl)c(c3)-c3cnccc3C)c2cc1C(F)(F)F Show InChI InChI=1S/C23H19ClF3N3O2/c1-13-5-7-28-12-17(13)16-10-15(3-4-19(16)24)29-22(31)30-8-6-14-9-21(32-2)18(11-20(14)30)23(25,26)27/h3-5,7,9-12H,6,8H2,1-2H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.				J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50130286 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C21H24ClN3O3S2/c1-14-17-12-15(22)4-7-20(17)29-21(14)30(26,27)23-16-5-6-19(28-3)18(13-16)25-10-8-24(2)9-11-25/h4-7,12-13,23H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n...				Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50403840 (CHEMBL345110) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C17H19Cl2N3O3S/c1-25-17-3-2-15(11-16(17)22-6-4-20-5-7-22)26(23,24)21-14-9-12(18)8-13(19)10-14/h2-3,8-11,20-21H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203200 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells				J Med Chem 50: 2200-12 (2007) Article DOI: 10.1021/jm070055c BindingDB Entry DOI: 10.7270/Q2MS3SG2
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50203200 ((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...) Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells				J Med Chem 50: 607-10 (2007) Article DOI: 10.1021/jm061224g BindingDB Entry DOI: 10.7270/Q2KP81T0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50086070 (5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...) Show SMILES COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cccnc3)c2cc1C(F)(F)F Show InChI InChI=1S/C21H17F3N4O2/c1-30-19-8-13-4-6-28(18(13)9-17(19)21(22,23)24)20(29)27-16-7-15(11-26-12-16)14-3-2-5-25-10-14/h2-3,5,7-12H,4,6H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.				J Med Chem 43: 1123-34 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q23X85V5
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50220782 (CHEMBL53675) Show SMILES CCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C21H26F4N4O3/c1-2-15-13-26-20(31)29(19(15)30)7-3-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1 Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n...				Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408232 (CHEMBL91093) Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1OCC(C)(C)C Show InChI InChI=1S/C26H39N5O2/c1-26(2,3)20-33-23-12-7-6-11-22(23)31-18-16-30(17-19-31)15-9-14-28-24-21(10-8-13-27-24)25(32)29(4)5/h6-8,10-13H,9,14-20H2,1-5H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408242 (CHEMBL91876) Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N2CCCC2)CC1 Show InChI InChI=1S/C24H33N5O2/c1-31-22-10-3-2-9-21(22)28-18-16-27(17-19-28)13-7-12-26-23-20(8-6-11-25-23)24(30)29-14-4-5-15-29/h2-3,6,8-11H,4-5,7,12-19H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408229 (CHEMBL329160) Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 Show InChI InChI=1S/C22H31N5O2/c1-25(2)22(28)18-8-6-11-23-21(18)24-12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description The compound was screened in vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50220786 (CHEMBL55629) Show SMILES Cc1c[nH]c(=O)n(CC2(CN3CCN(CC3)c3ccccc3OCC(F)(F)F)CC2)c1=O Show InChI InChI=1S/C22H27F3N4O3/c1-16-12-26-20(31)29(19(16)30)14-21(6-7-21)13-27-8-10-28(11-9-27)17-4-2-3-5-18(17)32-15-22(23,24)25/h2-5,12H,6-11,13-15H2,1H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50403845 (CHEMBL154089) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(I)ccc1C Show InChI InChI=1S/C18H22IN3O3S/c1-13-3-4-14(19)11-16(13)21-26(23,24)15-5-6-18(25-2)17(12-15)22-9-7-20-8-10-22/h3-6,11-12,20-21H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408205 (CHEMBL88435) Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1C Show InChI InChI=1S/C22H31N5O/c1-18-8-4-5-10-20(18)27-16-14-26(15-17-27)13-7-12-24-21-19(9-6-11-23-21)22(28)25(2)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50001824 (CHEMBL282971) Show SMILES [H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n...				Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50160165 (CHEMBL88272 | RS-17053 | [2-(2-Cyclopropylmethoxy-...) Show SMILES CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1 Show InChI InChI=1S/C24H29ClN2O2/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50408244 (CHEMBL93736) Show SMILES COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1 Show InChI InChI=1S/C22H31N5O2/c1-25(2)22(28)18-17-23-11-9-19(18)24-10-6-12-26-13-15-27(16-14-26)20-7-4-5-8-21(20)29-3/h4-5,7-9,11,17H,6,10,12-16H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor				J Med Chem 40: 2674-87 (1997) Checked by Author Article DOI: 10.1021/jm970166j BindingDB Entry DOI: 10.7270/Q2R78GD2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50403843 (CHEMBL151295) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1c2ccccc2CC1(C)C Show InChI InChI=1S/C21H27N3O3S/c1-21(2)15-16-6-4-5-7-18(16)24(21)28(25,26)17-8-9-20(27-3)19(14-17)23-12-10-22-11-13-23/h4-9,14,22H,10-13,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair

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