Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'dybala' 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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279520 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-p...) Show SMILES Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O2/c1-23-11-13-25(14-12-23)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-24(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-5,8-14,18,22,24,33H,6-7,15-17,19-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279541 (2-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-4-(2-...) Show SMILES Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-3.9,-32.75,;-5.23,-31.98,;-5.23,-30.44,;-6.57,-29.67,;-7.91,-30.46,;-7.9,-31.99,;-6.57,-32.75,;-6.56,-34.29,;-7.89,-35.07,;-9.23,-34.29,;-10.57,-35.07,;-10.57,-36.62,;-9.23,-37.39,;-7.89,-36.62,;-6.55,-37.39,;-6.55,-38.93,;-5.21,-36.61,;-3.88,-37.38,;-2.54,-36.61,;-1.21,-37.38,;.12,-36.61,;1.46,-37.38,;1.45,-38.93,;2.78,-39.7,;4.11,-38.94,;4.12,-37.39,;2.78,-36.61,;5.45,-39.71,;5.61,-41.24,;7.11,-41.56,;7.88,-40.23,;9.39,-39.92,;9.87,-38.46,;8.83,-37.31,;7.33,-37.63,;6.86,-39.08,;-5.21,-35.06,;-3.88,-34.29,)| Show InChI InChI=1S/C31H31FN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-6,9-13,17,21-22,33H,7-8,14-16,18-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM25759 (CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...) Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rzeszów University of Technology Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation method				Eur J Med Chem 44: 809-17 (2009) Article DOI: 10.1016/j.ejmech.2008.05.019 BindingDB Entry DOI: 10.7270/Q29Z94QJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50267197 ((2S)-1-(1H-Indol-4-yloxy)-3-{[2-(2-methoxyphenoxy)...) Show SMILES COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15(23)14-26-18-8-4-5-17-16(18)9-10-22-17/h2-10,15,21-23H,11-14H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rzeszów University of Technology Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation method				Eur J Med Chem 44: 809-17 (2009) Article DOI: 10.1016/j.ejmech.2008.05.019 BindingDB Entry DOI: 10.7270/Q29Z94QJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50146089 (1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...) Show SMILES COc1ccccc1N1CCN(CCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1 Show InChI InChI=1S/C24H33N7O3/c1-26-21-20(22(32)27(2)24(26)33)31-13-7-12-30(23(31)25-21)11-6-10-28-14-16-29(17-15-28)18-8-4-5-9-19(18)34-3/h4-5,8-9H,6-7,10-17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting				Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50267196 ((+/-)1-(1H-indol-4-yloxy)-3-(2-(2-methoxyphenoxy)e...) Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]ccc12 Show InChI InChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15(23)14-26-18-8-4-5-17-16(18)9-10-22-17/h2-10,15,21-23H,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rzeszów University of Technology Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation method				Eur J Med Chem 44: 809-17 (2009) Article DOI: 10.1016/j.ejmech.2008.05.019 BindingDB Entry DOI: 10.7270/Q29Z94QJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50255223 (4-(3N-(2-Amino-2-methyl-1,3-dihydroxypropyl)-2-hyd...) Show SMILES CC(CO)(CO)NCC(O)COc1cccc2c1oc1ccccc1c2=O Show InChI InChI=1S/C20H23NO6/c1-20(11-22,12-23)21-9-13(24)10-26-17-8-4-6-15-18(25)14-5-2-3-7-16(14)27-19(15)17/h2-8,13,21-24H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 17: 1345-52 (2009) Article DOI: 10.1016/j.bmc.2008.12.031 BindingDB Entry DOI: 10.7270/Q2KP8213
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279541 (2-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-4-(2-...) Show SMILES Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-3.9,-32.75,;-5.23,-31.98,;-5.23,-30.44,;-6.57,-29.67,;-7.91,-30.46,;-7.9,-31.99,;-6.57,-32.75,;-6.56,-34.29,;-7.89,-35.07,;-9.23,-34.29,;-10.57,-35.07,;-10.57,-36.62,;-9.23,-37.39,;-7.89,-36.62,;-6.55,-37.39,;-6.55,-38.93,;-5.21,-36.61,;-3.88,-37.38,;-2.54,-36.61,;-1.21,-37.38,;.12,-36.61,;1.46,-37.38,;1.45,-38.93,;2.78,-39.7,;4.11,-38.94,;4.12,-37.39,;2.78,-36.61,;5.45,-39.71,;5.61,-41.24,;7.11,-41.56,;7.88,-40.23,;9.39,-39.92,;9.87,-38.46,;8.83,-37.31,;7.33,-37.63,;6.86,-39.08,;-5.21,-35.06,;-3.88,-34.29,)| Show InChI InChI=1S/C31H31FN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-6,9-13,17,21-22,33H,7-8,14-16,18-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (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	5.60	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]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting				Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279520 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-p...) Show SMILES Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O2/c1-23-11-13-25(14-12-23)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-24(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-5,8-14,18,22,24,33H,6-7,15-17,19-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279540 (4-(4-Fluoro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H31FN4O2/c32-24-12-10-23(11-13-24)29-28-9-3-4-17-35(28)31(38)36(30(29)37)18-6-5-16-34-19-14-22(15-20-34)26-21-33-27-8-2-1-7-25(26)27/h1-4,7-13,17,21-22,33H,5-6,14-16,18-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301431 (2-{4-[4-(5-Methoxy-1H-indol-3-yl)-piperidin-1-yl]-...) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(OC)cc23)c1=O Show InChI InChI=1S/C33H40N4O4/c1-40-25-10-8-24(9-11-25)31-30-7-3-4-17-36(30)33(39)37(32(31)38)18-6-5-16-35-19-14-23(15-20-35)28-22-34-29-13-12-26(41-2)21-27(28)29/h8-13,21-23,34H,3-7,14-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279561 (2-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-4-phe...) Show SMILES O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N4O2/c36-30-29(24-10-2-1-3-11-24)28-14-6-7-18-34(28)31(37)35(30)19-9-8-17-33-20-15-23(16-21-33)26-22-32-27-13-5-4-12-25(26)27/h1-7,10-14,18,22-23,32H,8-9,15-17,19-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50255803 (5-(3N-(2-Amino-2-methyl-1-hydroxypropyl)-2-hydroxy...) Show SMILES CC(C)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O Show InChI InChI=1S/C20H22ClNO5/c1-20(2,11-23)22-9-13(24)10-26-16-5-3-4-15-18(25)14-7-6-12(21)8-17(14)27-19(15)16/h3-8,13,22-24H,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 17: 1345-52 (2009) Article DOI: 10.1016/j.bmc.2008.12.031 BindingDB Entry DOI: 10.7270/Q2KP8213
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50316331 (CHEMBL1098616 | rac-5-Cyclopropyl-5-phenyl-3-{3-[4...) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)NC(C3CC3)(C2=O)c2ccccc2)CC1 Show InChI InChI=1S/C26H32N4O3/c1-33-23-11-6-5-10-22(23)29-18-16-28(17-19-29)14-7-15-30-24(31)26(21-12-13-21,27-25(30)32)20-8-3-2-4-9-20/h2-6,8-11,21H,7,12-19H2,1H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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]8OH-DPAT from 5HT1A in rat brain cerebral cortex				Eur J Med Chem 45: 1295-303 (2010) Article DOI: 10.1016/j.ejmech.2009.11.053 BindingDB Entry DOI: 10.7270/Q2WM1DKV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301639 (6-Bromo-1,3-dimethyl-7-[3-(4-phenyl-piperazin-1-yl...) Show SMILES Cn1c2nc3nc(NCCCN4CCN(CC4)c4ccccc4)c(Br)cn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C23H27BrN8O2/c1-28-20-18(21(33)29(2)23(28)34)32-15-17(24)19(26-22(32)27-20)25-9-6-10-30-11-13-31(14-12-30)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	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]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting				Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50316332 (CHEMBL1095934 | rac-5-Cyclopropyl-5-phenyl-3-{3-[4...) Show SMILES Clc1cccc(c1)N1CCN(CCCN2C(=O)NC(C3CC3)(C2=O)c2ccccc2)CC1 Show InChI InChI=1S/C25H29ClN4O2/c26-21-8-4-9-22(18-21)29-16-14-28(15-17-29)12-5-13-30-23(31)25(20-10-11-20,27-24(30)32)19-6-2-1-3-7-19/h1-4,6-9,18,20H,5,10-17H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]8OH-DPAT from 5HT1A in rat brain cerebral cortex				Eur J Med Chem 45: 1295-303 (2010) Article DOI: 10.1016/j.ejmech.2009.11.053 BindingDB Entry DOI: 10.7270/Q2WM1DKV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301442 (4-(4-Fluoro-phenyl)-2-{4-[4-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5CCCCn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H37FN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h7-12,20-22,34H,2-6,13-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301429 (4-(4-Chloro-phenyl)-2-{4-[4-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H37ClN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h7-12,20-22,34H,2-6,13-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279586 (4-(2-fluorophenyl)-2-(4-(4-(5-methoxy-1H-indol-3-y...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |(9.93,-30.98,;8.42,-31.3,;7.94,-32.77,;8.98,-33.91,;8.5,-35.38,;6.99,-35.69,;6.22,-37.02,;4.71,-36.69,;4.56,-35.17,;3.22,-34.39,;1.89,-35.15,;.56,-34.38,;.57,-32.84,;-.77,-32.07,;-2.1,-32.84,;-3.43,-32.07,;-4.77,-32.84,;-6.1,-32.07,;-6.1,-30.52,;-4.77,-29.75,;-7.45,-29.74,;-7.45,-28.21,;-8.79,-27.45,;-8.8,-25.91,;-7.46,-25.13,;-6.12,-25.9,;-6.12,-27.44,;-4.79,-28.2,;-8.78,-30.52,;-10.12,-29.74,;-11.45,-30.52,;-11.45,-32.07,;-10.12,-32.84,;-8.78,-32.07,;-7.44,-32.84,;-7.44,-34.38,;1.89,-32.07,;3.23,-32.85,;5.97,-34.54,;6.44,-33.09,)| Show InChI InChI=1S/C32H33FN4O3/c1-40-23-11-12-28-25(20-23)26(21-34-28)22-13-18-35(19-14-22)15-6-7-17-37-31(38)30(24-8-2-3-9-27(24)33)29-10-4-5-16-36(29)32(37)39/h2-5,8-12,16,20-22,34H,6-7,13-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (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	16.8	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]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting				Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (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	17.1	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]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting				Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50335620 (2-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-4-(2-...) Show SMILES COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(.87,-34.6,;-.47,-35.37,;-1.8,-34.61,;-1.81,-33.06,;-3.14,-32.29,;-4.47,-33.06,;-4.47,-34.61,;-3.14,-35.38,;-3.15,-36.91,;-4.48,-37.68,;-5.81,-36.91,;-7.14,-37.67,;-7.14,-39.21,;-5.81,-39.98,;-4.49,-39.21,;-3.16,-39.99,;-3.16,-41.53,;-1.82,-39.22,;-.49,-40,;.85,-39.23,;2.18,-40.01,;3.52,-39.24,;4.85,-40.02,;4.84,-41.56,;6.16,-42.33,;7.5,-41.57,;7.51,-40.03,;6.18,-39.25,;8.83,-42.35,;8.98,-43.88,;10.49,-44.21,;11.26,-42.88,;12.76,-42.58,;13.25,-41.13,;12.23,-39.97,;10.73,-40.28,;10.25,-41.73,;-1.81,-37.68,;-.48,-36.91,)| Show InChI InChI=1S/C32H38N4O3/c1-39-29-14-5-3-11-25(29)30-28-13-6-7-18-35(28)32(38)36(31(30)37)19-9-8-17-34-20-15-23(16-21-34)26-22-33-27-12-4-2-10-24(26)27/h2-5,10-12,14,22-23,33H,6-9,13,15-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 46: 142-9 (2010) Article DOI: 10.1016/j.ejmech.2010.10.026 BindingDB Entry DOI: 10.7270/Q2251JFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301432 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-(...) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O3/c1-39-25-13-11-24(12-14-25)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-23(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22-23,33H,4-7,10,15-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301446 (2-{4-[4-(5-Methoxy-1H-indol-3-yl)-piperidin-1-yl]-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5CCCCn5c4=O)CC3)c2c1 Show InChI InChI=1S/C33H40N4O3/c1-23-8-10-25(11-9-23)31-30-7-3-4-17-36(30)33(39)37(32(31)38)18-6-5-16-35-19-14-24(15-20-35)28-22-34-29-13-12-26(40-2)21-27(28)29/h8-13,21-22,24,34H,3-7,14-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (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	23	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]8OH-DPAT from 5HT1A in rat brain cerebral cortex				Eur J Med Chem 45: 1295-303 (2010) Article DOI: 10.1016/j.ejmech.2009.11.053 BindingDB Entry DOI: 10.7270/Q2WM1DKV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (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	24.8	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]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting				Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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]ketanserin from 5HT2A in rat brain cerebral cortex				Eur J Med Chem 45: 1295-303 (2010) Article DOI: 10.1016/j.ejmech.2009.11.053 BindingDB Entry DOI: 10.7270/Q2WM1DKV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (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	25.4	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]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting				Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301445 (4-(2-Fluoro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-1.48,-44.82,;-2.82,-44.05,;-2.82,-42.5,;-4.16,-41.74,;-5.49,-42.51,;-5.49,-44.05,;-4.16,-44.82,;-4.16,-46.36,;-5.49,-47.13,;-6.81,-46.36,;-8.14,-47.12,;-8.15,-48.65,;-6.82,-49.43,;-5.5,-48.66,;-4.17,-49.44,;-4.18,-50.98,;-2.83,-48.68,;-1.5,-49.45,;-.16,-48.69,;1.17,-49.47,;2.5,-48.7,;3.83,-49.48,;3.81,-51.01,;5.14,-51.79,;6.48,-51.03,;6.49,-49.49,;5.16,-48.71,;7.8,-51.82,;7.96,-53.35,;9.46,-53.68,;10.24,-52.36,;11.74,-52.06,;12.24,-50.6,;11.21,-49.44,;9.71,-49.75,;9.22,-51.2,;-2.82,-47.13,;-1.49,-46.36,)| Show InChI InChI=1S/C31H35FN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-4,9-12,21-22,33H,5-8,13-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50335618 (2-{4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...) Show SMILES O=c1c(-c2ccccc2)c2CCCCn2c(=O)n1CCCCN1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H36N4O2/c36-30-29(24-10-2-1-3-11-24)28-14-6-7-18-34(28)31(37)35(30)19-9-8-17-33-20-15-23(16-21-33)26-22-32-27-13-5-4-12-25(26)27/h1-5,10-13,22-23,32H,6-9,14-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 46: 142-9 (2010) Article DOI: 10.1016/j.ejmech.2010.10.026 BindingDB Entry DOI: 10.7270/Q2251JFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50316326 (CHEMBL1098614 | rac-5-Methyl-5-pheny-3-{3-[4-(3-ch...) Show SMILES CC1(NC(=O)N(CCCN2CCN(CC2)c2cccc(Cl)c2)C1=O)c1ccccc1 Show InChI InChI=1S/C23H27ClN4O2/c1-23(18-7-3-2-4-8-18)21(29)28(22(30)25-23)12-6-11-26-13-15-27(16-14-26)20-10-5-9-19(24)17-20/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]8OH-DPAT from 5HT1A in rat brain cerebral cortex				Eur J Med Chem 45: 1295-303 (2010) Article DOI: 10.1016/j.ejmech.2009.11.053 BindingDB Entry DOI: 10.7270/Q2WM1DKV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (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 Reactome pathway 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]ketanserin from 5HT2A in rat brain cerebral cortex				Eur J Med Chem 45: 1295-303 (2010) Article DOI: 10.1016/j.ejmech.2009.11.053 BindingDB Entry DOI: 10.7270/Q2WM1DKV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301432 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-(...) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O3/c1-39-25-13-11-24(12-14-25)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-23(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22-23,33H,4-7,10,15-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 46: 142-9 (2010) Article DOI: 10.1016/j.ejmech.2010.10.026 BindingDB Entry DOI: 10.7270/Q2251JFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279585 (4-(4-fluorophenyl)-2-(4-(4-(5-methoxy-1H-indol-3-y...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H33FN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h2-3,6-12,16,20-22,34H,4-5,13-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	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]ketanserin from 5HT2A in rat brain cerebral cortex				Eur J Med Chem 45: 1295-303 (2010) Article DOI: 10.1016/j.ejmech.2009.11.053 BindingDB Entry DOI: 10.7270/Q2WM1DKV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301441 (4-(2-Chloro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-4.37,-5.8,;-5.71,-5.03,;-5.71,-3.48,;-7.05,-2.72,;-8.38,-3.49,;-8.38,-5.04,;-7.05,-5.81,;-7.05,-7.35,;-8.39,-8.11,;-9.7,-7.35,;-11.03,-8.1,;-11.04,-9.64,;-9.71,-10.41,;-8.39,-9.65,;-7.06,-10.42,;-7.07,-11.96,;-5.72,-9.66,;-4.39,-10.44,;-3.06,-9.67,;-1.73,-10.45,;-.39,-9.69,;.94,-10.46,;.92,-12,;2.24,-12.77,;3.59,-12.02,;3.6,-10.48,;2.27,-9.69,;4.91,-12.8,;5.07,-14.33,;6.57,-14.66,;7.35,-13.34,;8.85,-13.04,;9.35,-11.58,;8.32,-10.43,;6.82,-10.73,;6.33,-12.18,;-5.71,-8.11,;-4.38,-7.35,)| Show InChI InChI=1S/C31H35ClN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-4,9-12,21-22,33H,5-8,13-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279539 (4-(4-Chloro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Clc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H31ClN4O2/c32-24-12-10-23(11-13-24)29-28-9-3-4-17-35(28)31(38)36(30(29)37)18-6-5-16-34-19-14-22(15-20-34)26-21-33-27-8-2-1-7-25(26)27/h1-4,7-13,17,21-22,33H,5-6,14-16,18-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279540 (4-(4-Fluoro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H31FN4O2/c32-24-12-10-23(11-13-24)29-28-9-3-4-17-35(28)31(38)36(30(29)37)18-6-5-16-34-19-14-22(15-20-34)26-21-33-27-8-2-1-7-25(26)27/h1-4,7-13,17,21-22,33H,5-6,14-16,18-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (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	38	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]8OH-DPAT from 5HT1A in rat brain cerebral cortex				Eur J Med Chem 45: 1295-303 (2010) Article DOI: 10.1016/j.ejmech.2009.11.053 BindingDB Entry DOI: 10.7270/Q2WM1DKV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279564 (4-(4-chlorophenyl)-2-(4-(4-(5-methoxy-1H-indol-3-y...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H33ClN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h2-3,6-12,16,20-22,34H,4-5,13-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301445 (4-(2-Fluoro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-1.48,-44.82,;-2.82,-44.05,;-2.82,-42.5,;-4.16,-41.74,;-5.49,-42.51,;-5.49,-44.05,;-4.16,-44.82,;-4.16,-46.36,;-5.49,-47.13,;-6.81,-46.36,;-8.14,-47.12,;-8.15,-48.65,;-6.82,-49.43,;-5.5,-48.66,;-4.17,-49.44,;-4.18,-50.98,;-2.83,-48.68,;-1.5,-49.45,;-.16,-48.69,;1.17,-49.47,;2.5,-48.7,;3.83,-49.48,;3.81,-51.01,;5.14,-51.79,;6.48,-51.03,;6.49,-49.49,;5.16,-48.71,;7.8,-51.82,;7.96,-53.35,;9.46,-53.68,;10.24,-52.36,;11.74,-52.06,;12.24,-50.6,;11.21,-49.44,;9.71,-49.75,;9.22,-51.2,;-2.82,-47.13,;-1.49,-46.36,)| Show InChI InChI=1S/C31H35FN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-4,9-12,21-22,33H,5-8,13-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 46: 142-9 (2010) Article DOI: 10.1016/j.ejmech.2010.10.026 BindingDB Entry DOI: 10.7270/Q2251JFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279519 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-(...) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/c1-39-25-13-11-24(12-14-25)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-23(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-5,8-14,18,22-23,33H,6-7,15-17,19-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301428 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-p...) Show SMILES Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O2/c1-23-11-13-25(14-12-23)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-24(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22,24,33H,4-7,10,15-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 46: 142-9 (2010) Article DOI: 10.1016/j.ejmech.2010.10.026 BindingDB Entry DOI: 10.7270/Q2251JFS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50335619 (4-(4-chlorophenyl)-2-{4-[4-(1H-indol-3-yl)-3,6-dih...) Show SMILES Clc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H35ClN4O2/c32-24-12-10-23(11-13-24)29-28-9-3-4-17-35(28)31(38)36(30(29)37)18-6-5-16-34-19-14-22(15-20-34)26-21-33-27-8-2-1-7-25(26)27/h1-2,7-8,10-13,21-22,33H,3-6,9,14-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 46: 142-9 (2010) Article DOI: 10.1016/j.ejmech.2010.10.026 BindingDB Entry DOI: 10.7270/Q2251JFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301430 (4-(2-Fluoro-phenyl)-2-{4-[4-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)CC3)c2c1 |(34.52,-24.97,;33.01,-25.27,;32.53,-26.73,;33.55,-27.89,;33.06,-29.35,;31.55,-29.65,;30.77,-30.97,;29.27,-30.64,;29.12,-29.11,;27.79,-28.32,;26.45,-29.08,;25.13,-28.3,;25.14,-26.77,;23.82,-25.99,;22.48,-26.76,;21.15,-25.98,;19.81,-26.74,;18.48,-25.97,;18.49,-24.42,;19.83,-23.65,;17.16,-23.65,;15.82,-24.42,;14.5,-23.65,;13.17,-24.41,;13.17,-25.94,;14.49,-26.72,;15.81,-25.95,;17.14,-26.73,;17.13,-28.27,;17.15,-22.11,;15.82,-21.34,;15.83,-19.8,;17.15,-19.03,;18.49,-19.79,;18.5,-21.34,;19.83,-22.11,;26.47,-26,;27.8,-26.78,;30.54,-28.49,;31.02,-27.04,)| Show InChI InChI=1S/C32H37FN4O3/c1-40-23-11-12-28-25(20-23)26(21-34-28)22-13-18-35(19-14-22)15-6-7-17-37-31(38)30(24-8-2-3-9-27(24)33)29-10-4-5-16-36(29)32(37)39/h2-3,8-9,11-12,20-22,34H,4-7,10,13-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301428 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-p...) Show SMILES Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O2/c1-23-11-13-25(14-12-23)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-24(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22,24,33H,4-7,10,15-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 46: 142-9 (2010) Article DOI: 10.1016/j.ejmech.2010.10.026 BindingDB Entry DOI: 10.7270/Q2251JFS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50335621 (4-(4-fluorophenyl)-2-{4-[4-(1H-indol-3-yl)-3,6-dih...) Show SMILES Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H35FN4O2/c32-24-12-10-23(11-13-24)29-28-9-3-4-17-35(28)31(38)36(30(29)37)18-6-5-16-34-19-14-22(15-20-34)26-21-33-27-8-2-1-7-25(26)27/h1-2,7-8,10-13,21-22,33H,3-6,9,14-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 46: 142-9 (2010) Article DOI: 10.1016/j.ejmech.2010.10.026 BindingDB Entry DOI: 10.7270/Q2251JFS
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50255804 (5-(3N-(2-Amino-2-methyl-1,3-dihydroxypropyl)-2-hyd...) Show SMILES CC(CO)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O Show InChI InChI=1S/C20H22ClNO6/c1-20(10-23,11-24)22-8-13(25)9-27-16-4-2-3-15-18(26)14-6-5-12(21)7-17(14)28-19(15)16/h2-7,13,22-25H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 17: 1345-52 (2009) Article DOI: 10.1016/j.bmc.2008.12.031 BindingDB Entry DOI: 10.7270/Q2KP8213
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50316329 (CHEMBL1098307 | rac-5-Methyl-5-phenyl-3-{3-[4-(2-m...) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)NC(C)(C2=O)c2ccccc2)CC1 Show InChI InChI=1S/C24H30N4O3/c1-24(19-9-4-3-5-10-19)22(29)28(23(30)25-24)14-8-13-26-15-17-27(18-16-26)20-11-6-7-12-21(20)31-2/h3-7,9-12H,8,13-18H2,1-2H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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]8OH-DPAT from 5HT1A in rat brain cerebral cortex				Eur J Med Chem 45: 1295-303 (2010) Article DOI: 10.1016/j.ejmech.2009.11.053 BindingDB Entry DOI: 10.7270/Q2WM1DKV
					More data for this Ligand-Target Pair

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