Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'james' and Initial = 'mn'   

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 (Rattus norvegicus (Rat))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25725 (1,3-diphenylurea | Urea-based compound, 7) Show SMILES O=C(Nc1ccccc1)Nc1ccccc1 Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25733 (CHEMBL476614 | Urea-based compound, 14 | methyl 4-...) Show SMILES COC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O |TLB:19:14:21:18.17.20,THB:13:14:17:21.20.12| Show InChI InChI=1S/C19H24N2O4/c1-25-17(23)15-3-2-14(7-16(15)22)20-18(24)21-19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13,22H,4-6,8-10H2,1H3,(H2,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010870 (1-[1-(3,4-Dichloro-phenyl)-2-dimethylamino-ethyl]-...) Show SMILES CN(C)CC(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1 Show InChI InChI=1S/C16H23Cl2NO/c1-19(2)11-13(16(20)8-4-3-5-9-16)12-6-7-14(17)15(18)10-12/h6-7,10,13,20H,3-5,8-9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50208940 (5-bromo-pyridin-3-yl furan-2-carboxylate | 5-bromo...) Show SMILES Brc1cncc(OC(=O)c2ccco2)c1 Show InChI InChI=1S/C10H6BrNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010867 (1-[1-(3-Bromo-phenyl)-2-dimethylamino-ethyl]-cyclo...) Show SMILES CN(C)CC(c1cccc(Br)c1)C1(O)CCCCC1 Show InChI InChI=1S/C16H24BrNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM32805 ((5-chloranylpyridin-3-yl) furan-2-carboxylate | (5...) Show SMILES Clc1cncc(OC(=O)c2ccco2)c1 Show InChI InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM86748 (CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...) Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010872 (1-[1-(4-Bromo-phenyl)-2-dimethylamino-ethyl]-cyclo...) Show SMILES CN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1 Show InChI InChI=1S/C16H24BrNO/c1-18(2)12-15(13-6-8-14(17)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,19H,3-5,10-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50208942 (5-chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-car...) Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Oc1cncc(Cl)c1 Show InChI InChI=1S/C16H9Cl2NO3/c17-11-3-1-10(2-4-11)14-5-6-15(22-14)16(20)21-13-7-12(18)8-19-9-13/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50208939 (5-chloro-pyridin-3-yl-1H-indole-2-carboxylate | 5-...) Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3[nH]2)c1 Show InChI InChI=1S/C14H9ClN2O2/c15-10-6-11(8-16-7-10)19-14(18)13-5-9-3-1-2-4-12(9)17-13/h1-8,17H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50010870 (1-[1-(3,4-Dichloro-phenyl)-2-dimethylamino-ethyl]-...) Show SMILES CN(C)CC(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1 Show InChI InChI=1S/C16H23Cl2NO/c1-19(2)11-13(16(20)8-4-3-5-9-16)12-6-7-14(17)15(18)10-12/h6-7,10,13,20H,3-5,8-9,11H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010870 (1-[1-(3,4-Dichloro-phenyl)-2-dimethylamino-ethyl]-...) Show SMILES CN(C)CC(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1 Show InChI InChI=1S/C16H23Cl2NO/c1-19(2)11-13(16(20)8-4-3-5-9-16)12-6-7-14(17)15(18)10-12/h6-7,10,13,20H,3-5,8-9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010877 (1-[2-Dimethylamino-1-(4-trifluoromethyl-phenyl)-et...) Show SMILES CN(C)CC(c1ccc(cc1)C(F)(F)F)C1(O)CCCCC1 Show InChI InChI=1S/C17H24F3NO/c1-21(2)12-15(16(22)10-4-3-5-11-16)13-6-8-14(9-7-13)17(18,19)20/h6-9,15,22H,3-5,10-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010866 (1-[2-Dimethylamino-1-(3-methoxy-phenyl)-ethyl]-cyc...) Show SMILES COc1cccc(c1)C(CN(C)C)C1(O)CCCC1 Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(16(18)9-4-5-10-16)13-7-6-8-14(11-13)19-3/h6-8,11,15,18H,4-5,9-10,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50208941 (5-chloropyridin-3-yl benzo[b]thiophene-2-carboxyla...) Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3s2)c1 Show InChI InChI=1S/C14H8ClNO2S/c15-10-6-11(8-16-7-10)18-14(17)13-5-9-3-1-2-4-12(9)19-13/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010874 (1-(1-(4-chlorophenyl)-2-(dimethylamino)ethyl)cyclo...) Show SMILES CN(C)CC(c1ccc(Cl)cc1)C1(O)CCCCC1 Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-15(13-6-8-14(17)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,19H,3-5,10-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010872 (1-[1-(4-Bromo-phenyl)-2-dimethylamino-ethyl]-cyclo...) Show SMILES CN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1 Show InChI InChI=1S/C16H24BrNO/c1-18(2)12-15(13-6-8-14(17)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,19H,3-5,10-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50010867 (1-[1-(3-Bromo-phenyl)-2-dimethylamino-ethyl]-cyclo...) Show SMILES CN(C)CC(c1cccc(Br)c1)C1(O)CCCCC1 Show InChI InChI=1S/C16H24BrNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010862 (1-[2-Dimethylamino-1-(4-methoxy-phenyl)-ethyl]-cyc...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCC1 Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(16(18)10-4-5-11-16)13-6-8-14(19-3)9-7-13/h6-9,15,18H,4-5,10-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25732 (3-adamantan-1-yl-1-cyclohexylurea | CHEMBL242255 |...) Show SMILES O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19| Show InChI InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010878 (1-[1-(3,4-Dimethoxy-phenyl)-2-dimethylamino-ethyl]...) Show SMILES COc1ccc(cc1OC)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C18H29NO3/c1-19(2)13-15(18(20)10-6-5-7-11-18)14-8-9-16(21-3)17(12-14)22-4/h8-9,12,15,20H,5-7,10-11,13H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010858 (1-(1-(3-chlorophenyl)-2-(dimethylamino)ethyl)cyclo...) Show SMILES CN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1 Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50010873 (1-[1-(3-Bromo-4-methoxy-phenyl)-2-dimethylamino-et...) Show SMILES COc1ccc(cc1Br)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H26BrNO2/c1-19(2)12-14(17(20)9-5-4-6-10-17)13-7-8-16(21-3)15(18)11-13/h7-8,11,14,20H,4-6,9-10,12H2,1-3H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010879 (1-(2-(dimethylamino)-1-(3-methoxyphenyl)ethyl)cycl...) Show SMILES COc1cccc(c1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)10-5-4-6-11-17)14-8-7-9-15(12-14)20-3/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50010858 (1-(1-(3-chlorophenyl)-2-(dimethylamino)ethyl)cyclo...) Show SMILES CN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1 Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25728 (1,3-bis(4-chlorophenyl)urea | Urea-based compound,...) Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H10Cl2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50208943 (5-chloropyridin-3-yl benzofuran-2-carboxylate | CH...) Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3o2)c1 Show InChI InChI=1S/C14H8ClNO3/c15-10-6-11(8-16-7-10)18-14(17)13-5-9-3-1-2-4-12(9)19-13/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM86748 (CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...) Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010874 (1-(1-(4-chlorophenyl)-2-(dimethylamino)ethyl)cyclo...) Show SMILES CN(C)CC(c1ccc(Cl)cc1)C1(O)CCCCC1 Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-15(13-6-8-14(17)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,19H,3-5,10-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010879 (1-(2-(dimethylamino)-1-(3-methoxyphenyl)ethyl)cycl...) Show SMILES COc1cccc(c1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)10-5-4-6-11-17)14-8-7-9-15(12-14)20-3/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010873 (1-[1-(3-Bromo-4-methoxy-phenyl)-2-dimethylamino-et...) Show SMILES COc1ccc(cc1Br)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H26BrNO2/c1-19(2)12-14(17(20)9-5-4-6-10-17)13-7-8-16(21-3)15(18)11-13/h7-8,11,14,20H,4-6,9-10,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010873 (1-[1-(3-Bromo-4-methoxy-phenyl)-2-dimethylamino-et...) Show SMILES COc1ccc(cc1Br)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H26BrNO2/c1-19(2)12-14(17(20)9-5-4-6-10-17)13-7-8-16(21-3)15(18)11-13/h7-8,11,14,20H,4-6,9-10,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010880 (1-(2-Dimethylamino-1-p-tolyl-ethyl)-cyclohexanol (...) Show SMILES CN(C)CC(c1ccc(C)cc1)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO/c1-14-7-9-15(10-8-14)16(13-18(2)3)17(19)11-5-4-6-12-17/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50010872 (1-[1-(4-Bromo-phenyl)-2-dimethylamino-ethyl]-cyclo...) Show SMILES CN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1 Show InChI InChI=1S/C16H24BrNO/c1-18(2)12-15(13-6-8-14(17)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,19H,3-5,10-12H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Epoxide hydrolase B (Mycobacterium tuberculosis)	BDBM25730 (3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea | US...) Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010867 (1-[1-(3-Bromo-phenyl)-2-dimethylamino-ethyl]-cyclo...) Show SMILES CN(C)CC(c1cccc(Br)c1)C1(O)CCCCC1 Show InChI InChI=1S/C16H24BrNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010864 (1-[2-Dimethylamino-1-(4-methoxy-phenyl)-ethyl]-cyc...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCCC1 Show InChI InChI=1S/C18H29NO2/c1-19(2)14-17(15-8-10-16(21-3)11-9-15)18(20)12-6-4-5-7-13-18/h8-11,17,20H,4-7,12-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50010887 (1-[1-(2-Bromo-phenyl)-2-dimethylamino-ethyl]-cyclo...) Show SMILES CN(C)CC(c1ccccc1Br)C1(O)CCCCC1 Show InChI InChI=1S/C16H24BrNO/c1-18(2)12-14(13-8-4-5-9-15(13)17)16(19)10-6-3-7-11-16/h4-5,8-9,14,19H,3,6-7,10-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain				J Med Chem 33: 2899-905 (1990) BindingDB Entry DOI: 10.7270/Q20C4WCM
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50208938 (5-chloropyridin-3-yl thiazole-4-carboxylate | 5-ch...) Show SMILES Clc1cncc(OC(=O)c2cscn2)c1 Show InChI InChI=1S/C9H5ClN2O2S/c10-6-1-7(3-11-2-6)14-9(13)8-4-15-5-12-8/h1-5H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair

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