Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'dyba?a' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50004518 (CHEMBL2079256) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C31H36N4O3/c1-32-29(36)31(25-13-5-3-6-14-25,26-15-7-4-8-16-26)35(30(32)37)20-12-11-19-33-21-23-34(24-22-33)27-17-9-10-18-28(27)38-2/h3-10,13-18H,11-12,19-24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50004518 (CHEMBL2079256) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C31H36N4O3/c1-32-29(36)31(25-13-5-3-6-14-25,26-15-7-4-8-16-26)35(30(32)37)20-12-11-19-33-21-23-34(24-22-33)27-17-9-10-18-28(27)38-2/h3-10,13-18H,11-12,19-24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50485264 (CHEMBL2041585) Show SMILES Cl.COC(=O)CN1C(=O)N(CCCCN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H38N4O5/c1-41-29-18-10-9-17-28(29)35-23-21-34(22-24-35)19-11-12-20-37-32(40)36(25-30(38)42-2)31(39)33(37,26-13-5-3-6-14-26)27-15-7-4-8-16-27/h3-10,13-18H,11-12,19-25H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50485264 (CHEMBL2041585) Show SMILES Cl.COC(=O)CN1C(=O)N(CCCCN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H38N4O5/c1-41-29-18-10-9-17-28(29)35-23-21-34(22-24-35)19-11-12-20-37-32(40)36(25-30(38)42-2)31(39)33(37,26-13-5-3-6-14-26)27-15-7-4-8-16-27/h3-10,13-18H,11-12,19-25H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301632 (7-Methyl-8-[3-(N4-3'-chlorophenyl)-piperazin-N1-yl...) Show SMILES Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H28ClN7O2/c1-16-15-31-19-20(26(2)23(33)27(3)21(19)32)25-22(31)30(16)9-5-8-28-10-12-29(13-11-28)18-7-4-6-17(24)14-18/h4,6-7,14-15H,5,8-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301631 (8-[3-(N4-3'-chlorophenyl)-piperazin-N1-yl-propyl]-...) Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4cccc(Cl)c4)ccn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H26ClN7O2/c1-25-19-18(20(31)26(2)22(25)32)30-14-13-29(21(30)24-19)8-4-7-27-9-11-28(12-10-27)17-6-3-5-16(23)15-17/h3,5-6,13-15H,4,7-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50486841 (CHEMBL2236986) Show SMILES Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C23H27Cl2N7O2/c1-15-14-32-19-20(27(2)23(34)28(3)21(19)33)26-22(32)31(15)9-5-8-29-10-12-30(13-11-29)17-7-4-6-16(24)18(17)25/h4,6-7,14H,5,8-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301630 (8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-yl-propyl]...) Show SMILES COc1ccccc1N1CCN(CCCn2ccn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1 Show InChI InChI=1S/C23H29N7O3/c1-25-20-19(21(31)26(2)23(25)32)30-16-15-29(22(30)24-20)10-6-9-27-11-13-28(14-12-27)17-7-4-5-8-18(17)33-3/h4-5,7-8,15-16H,6,9-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301635 (7-Phenyl-8-[3-(N4-3'-chlorophenyl)-piperazin-N1-yl...) Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4cccc(Cl)c4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C28H30ClN7O2/c1-31-25-24(26(37)32(2)28(31)38)36-19-23(20-8-4-3-5-9-20)35(27(36)30-25)13-7-12-33-14-16-34(17-15-33)22-11-6-10-21(29)18-22/h3-6,8-11,18-19H,7,12-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301633 (7-Phenyl-8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-...) Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C28H31N7O2/c1-30-25-24(26(36)31(2)28(30)37)35-20-23(21-10-5-3-6-11-21)34(27(35)29-25)15-9-14-32-16-18-33(19-17-32)22-12-7-4-8-13-22/h3-8,10-13,20H,9,14-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50485263 (CHEMBL2041580) Show SMILES Cl.COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H33ClN4O5.ClH/c1-41-28(38)22-35-29(39)31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)36(30(35)40)21-25(37)20-33-16-18-34(19-17-33)27-15-9-8-14-26(27)32;/h2-15,25,37H,16-22H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50485263 (CHEMBL2041580) Show SMILES Cl.COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H33ClN4O5.ClH/c1-41-28(38)22-35-29(39)31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)36(30(35)40)21-25(37)20-33-16-18-34(19-17-33)27-15-9-8-14-26(27)32;/h2-15,25,37H,16-22H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50485266 (CHEMBL2041584) Show SMILES Cl.CCOc1ccccc1N1CCN(CCCN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C34H40N4O5.ClH/c1-4-43-30-19-12-11-18-29(30)36-24-22-35(23-25-36)20-13-21-37-33(41)38(26(2)31(39)42-3)32(40)34(37,27-14-7-5-8-15-27)28-16-9-6-10-17-28;/h5-12,14-19,26H,4,13,20-25H2,1-3H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50485266 (CHEMBL2041584) Show SMILES Cl.CCOc1ccccc1N1CCN(CCCN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C34H40N4O5.ClH/c1-4-43-30-19-12-11-18-29(30)36-24-22-35(23-25-36)20-13-21-37-33(41)38(26(2)31(39)42-3)32(40)34(37,27-14-7-5-8-15-27)28-16-9-6-10-17-28;/h5-12,14-19,26H,4,13,20-25H2,1-3H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	401	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50417062 (CHEMBL1258228) Show SMILES COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H34N4O5/c1-40-28(37)23-34-29(38)31(24-11-5-2-6-12-24,25-13-7-3-8-14-25)35(30(34)39)22-27(36)21-32-17-19-33(20-18-32)26-15-9-4-10-16-26/h2-16,27,36H,17-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50417062 (CHEMBL1258228) Show SMILES COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H34N4O5/c1-40-28(37)23-34-29(38)31(24-11-5-2-6-12-24,25-13-7-3-8-14-25)35(30(34)39)22-27(36)21-32-17-19-33(20-18-32)26-15-9-4-10-16-26/h2-16,27,36H,17-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50004517 (CHEMBL1916745) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C30H34N4O3/c1-31-28(35)30(24-12-5-3-6-13-24,25-14-7-4-8-15-25)34(29(31)36)19-11-18-32-20-22-33(23-21-32)26-16-9-10-17-27(26)37-2/h3-10,12-17H,11,18-23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50004517 (CHEMBL1916745) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C30H34N4O3/c1-31-28(35)30(24-12-5-3-6-13-24,25-14-7-4-8-15-25)34(29(31)36)19-11-18-32-20-22-33(23-21-32)26-16-9-10-17-27(26)37-2/h3-10,12-17H,11,18-23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301629 (8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-1,3-dimet...) Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)ccn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H27N7O2/c1-24-19-18(20(30)25(2)22(24)31)29-16-15-28(21(29)23-19)10-6-9-26-11-13-27(14-12-26)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50485265 (CHEMBL2040858) Show SMILES Cl.CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H31ClN4O3.ClH/c1-31-27(36)29(22-10-4-2-5-11-22,23-12-6-3-7-13-23)34(28(31)37)21-24(35)20-32-16-18-33(19-17-32)26-15-9-8-14-25(26)30;/h2-15,24,35H,16-21H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50485265 (CHEMBL2040858) Show SMILES Cl.CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H31ClN4O3.ClH/c1-31-27(36)29(22-10-4-2-5-11-22,23-12-6-3-7-13-23)34(28(31)37)21-24(35)20-32-16-18-33(19-17-32)26-15-9-8-14-25(26)30;/h2-15,24,35H,16-21H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	483	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50004516 (CHEMBL1916746) Show SMILES CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H32N4O3/c1-30-27(35)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)33(28(30)36)22-26(34)21-31-17-19-32(20-18-31)25-15-9-4-10-16-25/h2-16,26,34H,17-22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50004516 (CHEMBL1916746) Show SMILES CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H32N4O3/c1-30-27(35)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)33(28(30)36)22-26(34)21-31-17-19-32(20-18-31)25-15-9-4-10-16-25/h2-16,26,34H,17-22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	542	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50417059 (CHEMBL1257883) Show SMILES CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H31FN4O3/c1-31-27(36)29(22-10-4-2-5-11-22,23-12-6-3-7-13-23)34(28(31)37)21-24(35)20-32-16-18-33(19-17-32)26-15-9-8-14-25(26)30/h2-15,24,35H,16-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50417059 (CHEMBL1257883) Show SMILES CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H31FN4O3/c1-31-27(36)29(22-10-4-2-5-11-22,23-12-6-3-7-13-23)34(28(31)37)21-24(35)20-32-16-18-33(19-17-32)26-15-9-8-14-25(26)30/h2-15,24,35H,16-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	565	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50486838 (CHEMBL2236989) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1 Show InChI InChI=1S/C25H27F3N4O2/c26-25(27,28)19-6-3-7-20(17-19)31-15-13-30(14-16-31)11-4-12-32-22(33)24(29-23(32)34)10-9-18-5-1-2-8-21(18)24/h1-3,5-8,17H,4,9-16H2,(H,29,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50316322 (CHEMBL1098609 | rac-1-{3-[4-(3-Chlorophenyl)pipera...) Show SMILES Clc1cccc(c1)N1CCN(CCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1 Show InChI InChI=1S/C24H27ClN4O2/c25-19-6-3-7-20(17-19)28-15-13-27(14-16-28)11-4-12-29-22(30)24(26-23(29)31)10-9-18-5-1-2-8-21(18)24/h1-3,5-8,17H,4,9-16H2,(H,26,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	851	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50316325 (CHEMBL1096620 | rac-1-{3-[4-(3-Chlorophenyl)pipera...) Show SMILES Clc1cccc(c1)N1CCN(CCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1 Show InChI InChI=1S/C25H29ClN4O2/c26-20-8-3-9-21(18-20)29-16-14-28(15-17-29)12-5-13-30-23(31)25(27-24(30)32)11-4-7-19-6-1-2-10-22(19)25/h1-3,6,8-10,18H,4-5,7,11-17H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50316324 (CHEMBL1098287 | rac-1-{3-[4-(2-Methoxyphenyl)piper...) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1 Show InChI InChI=1S/C26H32N4O3/c1-33-23-12-5-4-11-22(23)29-18-16-28(17-19-29)14-7-15-30-24(31)26(27-25(30)32)13-6-9-20-8-2-3-10-21(20)26/h2-5,8,10-12H,6-7,9,13-19H2,1H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50316323 (CHEMBL1098286 | rac-1-[3-(4-Phenylpiperazin-1-yl)p...) Show SMILES O=C1NC2(CCCc3ccccc23)C(=O)N1CCCN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C25H30N4O2/c30-23-25(13-6-9-20-8-4-5-12-22(20)25)26-24(31)29(23)15-7-14-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h1-5,8,10-12H,6-7,9,13-19H2,(H,26,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50316327 (CHEMBL1096275 | rac-1-[3-(4-Phenylpiperazin-1-yl)p...) Show SMILES O=C1NC2(CCc3ccccc23)C(=O)N1CCCN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C24H28N4O2/c29-22-24(12-11-19-7-4-5-10-21(19)24)25-23(30)28(22)14-6-13-26-15-17-27(18-16-26)20-8-2-1-3-9-20/h1-5,7-10H,6,11-18H2,(H,25,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50316321 (CHEMBL1096276 | rac-1-{3-[4-(2-Methoxyphenyl)piper...) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1 Show InChI InChI=1S/C25H30N4O3/c1-32-22-10-5-4-9-21(22)28-17-15-27(16-18-28)13-6-14-29-23(30)25(26-24(29)31)12-11-19-7-2-3-8-20(19)25/h2-5,7-10H,6,11-18H2,1H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50486837 (CHEMBL2236991) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1 Show InChI InChI=1S/C26H29F3N4O2/c27-26(28,29)20-8-3-9-21(18-20)32-16-14-31(15-17-32)12-5-13-33-23(34)25(30-24(33)35)11-4-7-19-6-1-2-10-22(19)25/h1-3,6,8-10,18H,4-5,7,11-17H2,(H,30,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50486840 (CHEMBL2236988) Show SMILES Cn1c2nc3n(CCCN4CCc5ccccc5C4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C27H28N6O2/c1-29-24-23(25(34)30(2)27(29)35)33-18-22(20-10-4-3-5-11-20)32(26(33)28-24)15-8-14-31-16-13-19-9-6-7-12-21(19)17-31/h3-7,9-12,18H,8,13-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50485262 (CHEMBL2041581) Show SMILES Cl.COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H33FN4O5.ClH/c1-41-28(38)22-35-29(39)31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)36(30(35)40)21-25(37)20-33-16-18-34(19-17-33)27-15-9-8-14-26(27)32;/h2-15,25,37H,16-22H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50485262 (CHEMBL2041581) Show SMILES Cl.COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H33FN4O5.ClH/c1-41-28(38)22-35-29(39)31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)36(30(35)40)21-25(37)20-33-16-18-34(19-17-33)27-15-9-8-14-26(27)32;/h2-15,25,37H,16-22H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting				Bioorg Med Chem 20: 2290-303 (2012) Article DOI: 10.1016/j.bmc.2012.02.009 BindingDB Entry DOI: 10.7270/Q2XW4NP9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50486836 (CHEMBL2236992) Show SMILES O=C1NC2(CCCc3ccccc23)C(=O)N1CCCN1CCc2ccccc2C1 Show InChI InChI=1S/C24H27N3O2/c28-22-24(13-5-10-19-8-3-4-11-21(19)24)25-23(29)27(22)15-6-14-26-16-12-18-7-1-2-9-20(18)17-26/h1-4,7-9,11H,5-6,10,12-17H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301628 (7-Methyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...) Show SMILES COc1ccccc1N1CCN(CCCn2c(C)cn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1 Show InChI InChI=1S/C24H31N7O3/c1-17-16-31-20-21(26(2)24(33)27(3)22(20)32)25-23(31)30(17)11-7-10-28-12-14-29(15-13-28)18-8-5-6-9-19(18)34-4/h5-6,8-9,16H,7,10-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301627 (7-Methyl-8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-...) Show SMILES Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C23H29N7O2/c1-17-16-30-19-20(25(2)23(32)26(3)21(19)31)24-22(30)29(17)11-7-10-27-12-14-28(15-13-27)18-8-5-4-6-9-18/h4-6,8-9,16H,7,10-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301634 (7-Phenyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...) Show SMILES COc1ccccc1N1CCN(CCCn2c(cn3c2nc2n(C)c(=O)n(C)c(=O)c32)-c2ccccc2)CC1 Show InChI InChI=1S/C29H33N7O3/c1-31-26-25(27(37)32(2)29(31)38)36-20-23(21-10-5-4-6-11-21)35(28(36)30-26)15-9-14-33-16-18-34(19-17-33)22-12-7-8-13-24(22)39-3/h4-8,10-13,20H,9,14-19H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50486839 (CHEMBL2236987) Show SMILES Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCc2ccccc2C1 Show InChI InChI=1S/C22H26N6O2/c1-15-13-28-18-19(24(2)22(30)25(3)20(18)29)23-21(28)27(15)11-6-10-26-12-9-16-7-4-5-8-17(16)14-26/h4-5,7-8,13H,6,9-12,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair