Compile Data Set for Download or QSAR

Found 314 hits with Last Name = 'jørgensen' and Initial = 'm'   

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 (CALF)	BDBM50426619 (CHEMBL2326175) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ncn(C)n1 Show InChI InChI=1S/C23H24FN5/c1-27-11-9-16(10-12-27)21-14-29(19-6-4-18(24)5-7-19)22-8-3-17(13-20(21)22)23-25-15-28(2)26-23/h3-8,13-16H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50122815 (1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H29FN8O/c1-32-30-25(29-31-32)19-2-7-24-22(16-19)23(17-35(24)21-5-3-20(27)4-6-21)18-8-11-33(12-9-18)14-15-34-13-10-28-26(34)36/h2-7,16-18H,8-15H2,1H3,(H,28,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50426621 (CHEMBL2325935) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1nnn(C)n1 Show InChI InChI=1S/C22H23FN6/c1-27-11-9-15(10-12-27)20-14-29(18-6-4-17(23)5-7-18)21-8-3-16(13-19(20)21)22-24-26-28(2)25-22/h3-8,13-15H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50426630 (CHEMBL2325926) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ccnn1C Show InChI InChI=1S/C24H25FN4/c1-27-13-10-17(11-14-27)22-16-29(20-6-4-19(25)5-7-20)24-8-3-18(15-21(22)24)23-9-12-26-28(23)2/h3-9,12,15-17H,10-11,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (C.H.O.)	BDBM50001786 (1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from hamster alpha1B adrenoceptor expressed in Rat1 cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50001786 (1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001786 (1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50328477 (1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl...) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cncnc1 Show InChI InChI=1S/C24H23FN4/c1-28-10-8-17(9-11-28)23-15-29(21-5-3-20(25)4-6-21)24-7-2-18(12-22(23)24)19-13-26-16-27-14-19/h2-7,12-17H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50426620 (CHEMBL2326176) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ccn(C)n1 Show InChI InChI=1S/C24H25FN4/c1-27-12-9-17(10-13-27)22-16-29(20-6-4-19(25)5-7-20)24-8-3-18(15-21(22)24)23-11-14-28(2)26-23/h3-8,11,14-17H,9-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50001786 (1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from rat alpha1D adrenoceptor expressed in CHO cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (C.H.O.)	BDBM50122815 (1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H29FN8O/c1-32-30-25(29-31-32)19-2-7-24-22(16-19)23(17-35(24)21-5-3-20(27)4-6-21)18-8-11-33(12-9-18)14-15-34-13-10-28-26(34)36/h2-7,16-18H,8-15H2,1H3,(H,28,36)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from hamster alpha1B adrenoceptor expressed in Rat1 cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (C.H.O.)	BDBM50328477 (1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl...) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cncnc1 Show InChI InChI=1S/C24H23FN4/c1-28-10-8-17(9-11-28)23-15-29(21-5-3-20(25)4-6-21)24-7-2-18(12-22(23)24)19-13-26-16-27-14-19/h2-7,12-17H,8-11H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from hamster alpha1B adrenoceptor expressed in Rat1 cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50122815 (1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H29FN8O/c1-32-30-25(29-31-32)19-2-7-24-22(16-19)23(17-35(24)21-5-3-20(27)4-6-21)18-8-11-33(12-9-18)14-15-34-13-10-28-26(34)36/h2-7,16-18H,8-15H2,1H3,(H,28,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from rat alpha1D adrenoceptor expressed in CHO cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50426624 (CHEMBL2325932) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cccnc1 Show InChI InChI=1S/C25H24FN3/c1-28-13-10-18(11-14-28)24-17-29(22-7-5-21(26)6-8-22)25-9-4-19(15-23(24)25)20-3-2-12-27-16-20/h2-9,12,15-18H,10-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50328477 (1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl...) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cncnc1 Show InChI InChI=1S/C24H23FN4/c1-28-10-8-17(9-11-28)23-15-29(21-5-3-20(25)4-6-21)24-7-2-18(12-22(23)24)19-13-26-16-27-14-19/h2-7,12-17H,8-11H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from rat alpha1D adrenoceptor expressed in CHO cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50426628 (CHEMBL2325928) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C24H25FN4/c1-27-11-9-17(10-12-27)23-16-29(21-6-4-20(25)5-7-21)24-8-3-18(13-22(23)24)19-14-26-28(2)15-19/h3-8,13-17H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A adrenergic receptor (CALF)	BDBM50122807 (1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,3...) Show SMILES Cn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H30FN7O/c1-32-18-25(30-31-32)20-2-7-26-23(16-20)24(17-35(26)22-5-3-21(28)4-6-22)19-8-11-33(12-9-19)14-15-34-13-10-29-27(34)36/h2-7,16-19H,8-15H2,1H3,(H,29,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (C.H.O.)	BDBM50122807 (1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,3...) Show SMILES Cn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H30FN7O/c1-32-18-25(30-31-32)20-2-7-26-23(16-20)24(17-35(26)22-5-3-21(28)4-6-22)19-8-11-33(12-9-19)14-15-34-13-10-29-27(34)36/h2-7,16-19H,8-15H2,1H3,(H,29,36)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from hamster alpha1B adrenoceptor expressed in Rat1 cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (C.H.O.)	BDBM50426619 (CHEMBL2326175) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ncn(C)n1 Show InChI InChI=1S/C23H24FN5/c1-27-11-9-16(10-12-27)21-14-29(19-6-4-18(24)5-7-19)22-8-3-17(13-20(21)22)23-25-15-28(2)26-23/h3-8,13-16H,9-12H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from hamster alpha1B adrenoceptor expressed in Rat1 cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400899 (CHEMBL2204363) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1 Show InChI InChI=1S/C17H19ClN2S/c1-13-6-7-16(14(18)12-13)21-17-5-3-2-4-15(17)20-10-8-19-9-11-20/h2-7,12,19H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50122807 (1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,3...) Show SMILES Cn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H30FN7O/c1-32-18-25(30-31-32)20-2-7-26-23(16-20)24(17-35(26)22-5-3-21(28)4-6-22)19-8-11-33(12-9-19)14-15-34-13-10-29-27(34)36/h2-7,16-19H,8-15H2,1H3,(H,29,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from rat alpha1D adrenoceptor expressed in CHO cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50426626 (CHEMBL2325930) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ccncc1 Show InChI InChI=1S/C25H24FN3/c1-28-14-10-19(11-15-28)24-17-29(22-5-3-21(26)4-6-22)25-7-2-20(16-23(24)25)18-8-12-27-13-9-18/h2-9,12-13,16-17,19H,10-11,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400901 (CHEMBL2204361) Show SMILES COc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1 Show InChI InChI=1S/C17H19ClN2OS/c1-21-13-6-7-16(14(18)12-13)22-17-5-3-2-4-15(17)20-10-8-19-9-11-20/h2-7,12,19H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50328477 (1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl...) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cncnc1 Show InChI InChI=1S/C24H23FN4/c1-28-10-8-17(9-11-28)23-15-29(21-5-3-20(25)4-6-21)24-7-2-18(12-22(23)24)19-13-26-16-27-14-19/h2-7,12-17H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]CT from human 5-HT1B receptor expressed in human HeLa cells after 60 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400895 (CHEMBL2205051) Show SMILES Cc1ccccc1Sc1ccccc1N1CCNCC1 Show InChI InChI=1S/C17H20N2S/c1-14-6-2-4-8-16(14)20-17-9-5-3-7-15(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50426619 (CHEMBL2326175) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ncn(C)n1 Show InChI InChI=1S/C23H24FN5/c1-27-11-9-16(10-12-27)21-14-29(19-6-4-18(24)5-7-19)22-8-3-17(13-20(21)22)23-25-15-28(2)26-23/h3-8,13-16H,9-12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from rat alpha1D adrenoceptor expressed in CHO cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426630 (CHEMBL2325926) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ccnn1C Show InChI InChI=1S/C24H25FN4/c1-27-13-10-17(11-14-27)22-16-29(20-6-4-19(25)5-7-20)24-8-3-18(15-21(22)24)23-9-12-26-28(23)2/h3-9,12,15-17H,10-11,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50328477 (1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl...) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cncnc1 Show InChI InChI=1S/C24H23FN4/c1-28-10-8-17(9-11-28)23-15-29(21-5-3-20(25)4-6-21)24-7-2-18(12-22(23)24)19-13-26-16-27-14-19/h2-7,12-17H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 60 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400900 (CHEMBL2204362) Show SMILES COc1cc(C)ccc1Sc1ccccc1N1CCNCC1 Show InChI InChI=1S/C18H22N2OS/c1-14-7-8-18(16(13-14)21-2)22-17-6-4-3-5-15(17)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human 5HT7 receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50426622 (CHEMBL2325934) Show SMILES CN1CCC(CC1)c1cn(-c2ccncc2)c2ccc(cc12)-c1cncnc1 Show InChI InChI=1S/C23H23N5/c1-27-10-6-17(7-11-27)22-15-28(20-4-8-24-9-5-20)23-3-2-18(12-21(22)23)19-13-25-16-26-14-19/h2-5,8-9,12-17H,6-7,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50426629 (CHEMBL2325927) Show SMILES CN1CCC(CC1)c1cn(-c2ccncc2)c2ccc(cc12)-c1ccnn1C Show InChI InChI=1S/C23H25N5/c1-26-13-8-17(9-14-26)21-16-28(19-5-10-24-11-6-19)23-4-3-18(15-20(21)23)22-7-12-25-27(22)2/h3-7,10-12,15-17H,8-9,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50426623 (CHEMBL2325933) Show SMILES CN1CCC(CC1)c1cn(-c2ccncc2)c2ccc(cc12)-c1cccnc1 Show InChI InChI=1S/C24H24N4/c1-27-13-8-18(9-14-27)23-17-28(21-6-11-25-12-7-21)24-5-4-19(15-22(23)24)20-3-2-10-26-16-20/h2-7,10-12,15-18H,8-9,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50426625 (CHEMBL2325931) Show SMILES CN1CCC(CC1)c1cn(-c2ccncc2)c2ccc(cc12)-c1ccncc1 Show InChI InChI=1S/C24H24N4/c1-27-14-8-19(9-15-27)23-17-28(21-6-12-26-13-7-21)24-3-2-20(16-22(23)24)18-4-10-25-11-5-18/h2-7,10-13,16-17,19H,8-9,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400903 (CHEMBL2204359) Show SMILES Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1 Show InChI InChI=1S/C16H16Cl2N2S/c17-12-5-6-15(13(18)11-12)21-16-4-2-1-3-14(16)20-9-7-19-8-10-20/h1-6,11,19H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426626 (CHEMBL2325930) Show SMILES CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ccncc1 Show InChI InChI=1S/C25H24FN3/c1-28-14-10-19(11-15-28)24-17-29(22-5-3-21(26)4-6-22)25-7-2-20(16-23(24)25)18-8-12-27-13-9-18/h2-9,12-13,16-17,19H,10-11,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 196-204 (2012) Article DOI: 10.1016/j.bmc.2012.10.049 BindingDB Entry DOI: 10.7270/Q2K938VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400906 (CHEMBL2205034) Show SMILES Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1 Show InChI InChI=1S/C19H24N2S/c1-15-8-9-18(16(2)14-15)22-19-7-4-3-6-17(19)21-12-5-10-20-11-13-21/h3-4,6-9,14,20H,5,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400889 (CHEMBL2204357) Show SMILES Cc1cccc(Sc2ccccc2N2CCNCC2)c1C Show InChI InChI=1S/C18H22N2S/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400884 (CHEMBL2205041) Show SMILES C1CN(CCN1)c1ccccc1Sc1ccccc1 Show InChI InChI=1S/C16H18N2S/c1-2-6-14(7-3-1)19-16-9-5-4-8-15(16)18-12-10-17-11-13-18/h1-9,17H,10-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400889 (CHEMBL2204357) Show SMILES Cc1cccc(Sc2ccccc2N2CCNCC2)c1C Show InChI InChI=1S/C18H22N2S/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400895 (CHEMBL2205051) Show SMILES Cc1ccccc1Sc1ccccc1N1CCNCC1 Show InChI InChI=1S/C17H20N2S/c1-14-6-2-4-8-16(14)20-17-9-5-3-7-15(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400904 (CHEMBL2204358) Show SMILES COc1ccc(Sc2ccccc2N2CCNCC2)c(OC)c1 Show InChI InChI=1S/C18H22N2O2S/c1-21-14-7-8-18(16(13-14)22-2)23-17-6-4-3-5-15(17)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity at human 5HT1B receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400892 (CHEMBL2205054) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)cc1C Show InChI InChI=1S/C18H22N2S/c1-14-7-8-16(13-15(14)2)21-18-6-4-3-5-17(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 314 total )  |  Next  |  Last  >>

Jump to: