Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50032541   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50247054 (6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...) Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50330789 (CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...) Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50330789 (CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...) Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from rat H3 receptor				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Transporter (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	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50330791 (CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...) Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50330790 (CHEMBL1277594 | N-Methyl-3-phenyl-3-(4-(2-(pyrroli...) Show SMILES CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H30N2O/c1-23-14-13-22(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-24-15-5-6-16-24/h2-4,7-12,22-23H,5-6,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50330788 (CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...) Show SMILES CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C21H29N3O/c1-22-13-16-24(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-23-14-5-6-15-23/h2-4,7-12,22H,5-6,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330792 (CHEMBL1277686 | N-methyl-3-(naphthalen-1-yl)-3-phe...) Show SMILES CNCCC(c1ccccc1)c1cccc2ccccc12 Show InChI InChI=1S/C20H21N/c1-21-15-14-19(16-8-3-2-4-9-16)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19,21H,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of SERT				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50330791 (CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...) Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from rat H3 receptor				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50330790 (CHEMBL1277594 | N-Methyl-3-phenyl-3-(4-(2-(pyrroli...) Show SMILES CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H30N2O/c1-23-14-13-22(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-24-15-5-6-16-24/h2-4,7-12,22-23H,5-6,13-18H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50330790 (CHEMBL1277594 | N-Methyl-3-phenyl-3-(4-(2-(pyrroli...) Show SMILES CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H30N2O/c1-23-14-13-22(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-24-15-5-6-16-24/h2-4,7-12,22-23H,5-6,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from rat H3 receptor				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50330788 (CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...) Show SMILES CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C21H29N3O/c1-22-13-16-24(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-23-14-5-6-15-23/h2-4,7-12,22H,5-6,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from rat H3 receptor				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330787 (4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidi...) Show SMILES CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12 Show InChI InChI=1S/C26H32N2O2/c1-27-14-13-22(20-7-3-2-4-8-20)23-11-12-26(29)24-10-9-21(19-25(23)24)30-18-17-28-15-5-6-16-28/h2-4,7-12,19,22,27,29H,5-6,13-18H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of SERT				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50330787 (4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidi...) Show SMILES CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12 Show InChI InChI=1S/C26H32N2O2/c1-27-14-13-22(20-7-3-2-4-8-20)23-11-12-26(29)24-10-9-21(19-25(23)24)30-18-17-28-15-5-6-16-28/h2-4,7-12,19,22,27,29H,5-6,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50330791 (CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...) Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	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
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50330787 (4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidi...) Show SMILES CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12 Show InChI InChI=1S/C26H32N2O2/c1-27-14-13-22(20-7-3-2-4-8-20)23-11-12-26(29)24-10-9-21(19-25(23)24)30-18-17-28-15-5-6-16-28/h2-4,7-12,19,22,27,29H,5-6,13-18H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	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
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of SERT				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50330787 (4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidi...) Show SMILES CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12 Show InChI InChI=1S/C26H32N2O2/c1-27-14-13-22(20-7-3-2-4-8-20)23-11-12-26(29)24-10-9-21(19-25(23)24)30-18-17-28-15-5-6-16-28/h2-4,7-12,19,22,27,29H,5-6,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from rat H3 receptor				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50330786 (CHEMBL1277410 | N-Methyl-3-phenyl-3-(6-(2-(pyrroli...) Show SMILES CNCCC(Oc1cccc2cc(OCCN3CCCC3)ccc12)c1ccccc1 Show InChI InChI=1S/C26H32N2O2/c1-27-15-14-25(21-8-3-2-4-9-21)30-26-11-7-10-22-20-23(12-13-24(22)26)29-19-18-28-16-5-6-17-28/h2-4,7-13,20,25,27H,5-6,14-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from rat H3 receptor				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330789 (CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...) Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of SERT				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330790 (CHEMBL1277594 | N-Methyl-3-phenyl-3-(4-(2-(pyrroli...) Show SMILES CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H30N2O/c1-23-14-13-22(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-24-15-5-6-16-24/h2-4,7-12,22-23H,5-6,13-18H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of SERT				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330791 (CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...) Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of SERT				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330788 (CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...) Show SMILES CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C21H29N3O/c1-22-13-16-24(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-23-14-5-6-15-23/h2-4,7-12,22H,5-6,13-18H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of SERT				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50330788 (CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...) Show SMILES CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C21H29N3O/c1-22-13-16-24(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-23-14-5-6-15-23/h2-4,7-12,22H,5-6,13-18H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50330789 (CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...) Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50330786 (CHEMBL1277410 | N-Methyl-3-phenyl-3-(6-(2-(pyrroli...) Show SMILES CNCCC(Oc1cccc2cc(OCCN3CCCC3)ccc12)c1ccccc1 Show InChI InChI=1S/C26H32N2O2/c1-27-15-14-25(21-8-3-2-4-9-21)30-26-11-7-10-22-20-23(12-13-24(22)26)29-19-18-28-16-5-6-17-28/h2-4,7-13,20,25,27H,5-6,14-19H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from rat H3 receptor				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from rat H3 receptor				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	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/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human NET				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176062 (3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...) Show SMILES CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13| Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human NET				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair