Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'ives' and Initial = 'jl'   

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 3A (Homo sapiens (Human))	BDBM50014156 (4-(2-Methoxy-phenyl)-2-(5-methyl-1H-imidazol-4-ylm...) Show SMILES COc1ccccc1-c1csc(Cc2[nH]cnc2C)n1 Show InChI InChI=1S/C15H15N3OS/c1-10-12(17-9-16-10)7-15-18-13(8-20-15)11-5-3-4-6-14(11)19-2/h3-6,8-9H,7H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014164 (8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1cccc2cccnc12 Show InChI InChI=1S/C17H14N4S/c1-11-14(20-10-19-11)8-16-21-15(9-22-16)13-6-2-4-12-5-3-7-18-17(12)13/h2-7,9-10H,8H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Mus musculus (house mouse))	BDBM50000492 ((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014159 (4-(2-Fluoro-phenyl)-2-(5-methyl-1H-imidazol-4-ylme...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1F Show InChI InChI=1S/C14H12FN3S/c1-9-12(17-8-16-9)6-14-18-13(7-19-14)10-4-2-3-5-11(10)15/h2-5,7-8H,6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50013043 (3-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50222218 (CHEBI:51137 | Mianserin) Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	361	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Muscarinic acetylcholine receptor was determined by using [3H]QNB as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1C receptor was determined by using [3H]- mesulergine as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1B receptor was determined by using [3H]5-HT as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Rattus norvegicus)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Alpha-2 adrenergic receptor was determined by using [3H]p-aminoclonidine as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Beta adrenergic receptor was determined by using [3H]dihydroalprenolol as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Sigma opioid receptor was determined by using [3H](+)-3-(3-hydroxyphenyl)N-1-propyl-piperdine((+)-3-PPP) as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Alpha-1 adrenergic receptor was determined by using [3H]prazosin as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Mus musculus (Mouse))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D1 was determined by using [3H]SCH-23390 as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was determined by using [3H]spiperone as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1 was determined by using [3H]naloxone as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1D receptor was determined by using [3H]5-HT as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (BOVINE)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2 receptor was determined by using [3H]ketanserin as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Mus musculus (Mouse))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor was determined by using [3H]8-OH-DPAT as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50014406 (2-Me 5-HT | 2-Methyl-5-hydroxytryptamine | 2-methy...) Show SMILES Cc1[nH]c2ccc(O)cc2c1CCN Show InChI InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032162 (3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,7-dihydro-...) Show SMILES O=C1Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 Show InChI InChI=1S/C23H25N3O2/c27-23-13-18-12-19-20(25-28-22(19)14-21(18)24-23)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032161 (3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-7-methyl-5,7...) Show SMILES CN1C(=O)Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc12 Show InChI InChI=1S/C24H27N3O2/c1-26-22-15-23-20(13-19(22)14-24(26)28)21(25-29-23)8-7-17-9-11-27(12-10-17)16-18-5-3-2-4-6-18/h2-6,13,15,17H,7-12,14,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032164 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-5,6-dihydroiso...) Show SMILES O=C1CCc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 Show InChI InChI=1S/C24H27N3O2/c28-24-9-7-19-14-20-21(26-29-23(20)15-22(19)25-24)8-6-17-10-12-27(13-11-17)16-18-4-2-1-3-5-18/h1-5,14-15,17H,6-13,16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50015711 (3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole-5-ca...) Show SMILES N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9| Show InChI InChI=1S/C14H13N3/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11/h1-3,7,9,16-17H,4-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT				J Med Chem 33: 2087-93 (1990) BindingDB Entry DOI: 10.7270/Q2GQ6WR3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039721 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-6-morpholinobe...) Show SMILES C(Cc1noc2cc(ccc12)N1CCOCC1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O2/c1-2-4-21(5-3-1)19-27-12-10-20(11-13-27)6-9-24-23-8-7-22(18-25(23)30-26-24)28-14-16-29-17-15-28/h1-5,7-8,18,20H,6,9-17,19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032163 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-5H-isoxazolo[5...) Show SMILES O=C1Cc2cc3onc(CCC4CCN(Cc5ccccc5)CC4)c3cc2N1 Show InChI InChI=1S/C23H25N3O2/c27-23-13-18-12-22-19(14-21(18)24-23)20(25-28-22)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50015714 (3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indol-5-ol ...) Show SMILES Oc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8| Show InChI InChI=1S/C13H14N2O/c16-10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-16H,4-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT				J Med Chem 33: 2087-93 (1990) BindingDB Entry DOI: 10.7270/Q2GQ6WR3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50015712 (5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...) Show SMILES Fc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8| Show InChI InChI=1S/C13H13FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT				J Med Chem 33: 2087-93 (1990) BindingDB Entry DOI: 10.7270/Q2GQ6WR3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM81498 (5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-i...) Show SMILES COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9| Show InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT				J Med Chem 33: 2087-93 (1990) BindingDB Entry DOI: 10.7270/Q2GQ6WR3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032165 (CHEMBL92736 | CHEMBL94217 | N-{3-[2-(1-Benzyl-pipe...) Show SMILES CC(=O)Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C23H27N3O2/c1-17(27)24-20-8-9-21-22(25-28-23(21)15-20)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032165 (CHEMBL92736 | CHEMBL94217 | N-{3-[2-(1-Benzyl-pipe...) Show SMILES CC(=O)Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C23H27N3O2/c1-17(27)24-20-8-9-21-22(25-28-23(21)15-20)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1D receptor of bovine caudate using [3H]-5-HT as the radioligand				J Med Chem 33: 2087-93 (1990) BindingDB Entry DOI: 10.7270/Q2GQ6WR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50015709 (5-Bromo-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...) Show SMILES Brc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8| Show InChI InChI=1S/C13H13BrN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT				J Med Chem 33: 2087-93 (1990) BindingDB Entry DOI: 10.7270/Q2GQ6WR3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50015717 (5-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...) Show SMILES Clc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8| Show InChI InChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT				J Med Chem 33: 2087-93 (1990) BindingDB Entry DOI: 10.7270/Q2GQ6WR3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50015718 (5-Nitro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...) Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:10| Show InChI InChI=1S/C13H13N3O2/c17-16(18)10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-15H,4-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT				J Med Chem 33: 2087-93 (1990) BindingDB Entry DOI: 10.7270/Q2GQ6WR3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032160 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-6H-isoxazolo[5...) Show SMILES O=C1Cc2c(N1)ccc1c(CCC3CCN(Cc4ccccc4)CC3)noc21 Show InChI InChI=1S/C23H25N3O2/c27-22-14-19-20(24-22)9-7-18-21(25-28-23(18)19)8-6-16-10-12-26(13-11-16)15-17-4-2-1-3-5-17/h1-5,7,9,16H,6,8,10-15H2,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM31023 (3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...) Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2| Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT as the radioligand.				J Med Chem 33: 2087-93 (1990) BindingDB Entry DOI: 10.7270/Q2GQ6WR3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034001 (3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H...) Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O/c1-3-28-19(2)26-23-17-22(10-11-24(23)28)25(29)12-9-20-13-15-27(16-14-20)18-21-7-5-4-6-8-21/h4-8,10-11,17,20H,3,9,12-16,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT as the radioligand.				J Med Chem 33: 2087-93 (1990) BindingDB Entry DOI: 10.7270/Q2GQ6WR3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor				J Med Chem 33: 2087-93 (1990) BindingDB Entry DOI: 10.7270/Q2GQ6WR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039729 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-5,6-dimethylbe...) Show SMILES Cc1cc2onc(CCC3CCN(Cc4ccccc4)CC3)c2cc1C Show InChI InChI=1S/C23H28N2O/c1-17-14-21-22(24-26-23(21)15-18(17)2)9-8-19-10-12-25(13-11-19)16-20-6-4-3-5-7-20/h3-7,14-15,19H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Butyrylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of the Butyrylcholinesterase from horse serum				J Med Chem 37: 2721-34 (1994) BindingDB Entry DOI: 10.7270/Q2VT1R4X
					More data for this Ligand-Target Pair				3D Structure (crystal)

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