Compile Data Set for Download or QSAR

Found 317 hits with Last Name = 'waszkielewicz' and Initial = 'am'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Jagiellonian University Medical College					Assay Description Binding experiments were conducted in 96-well microplates in a total volume of 250 μL of buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 1 mM EDTA)....				Chem Biol Drug Des 89: 339-352 (2017) Article DOI: 10.1111/cbdd.12842 BindingDB Entry DOI: 10.7270/Q2PN94GQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50457575 (CHEMBL3979261) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C22H30N2O2/c1-18-8-6-9-19(2)22(18)26-17-7-12-23-13-15-24(16-14-23)20-10-4-5-11-21(20)25-3/h4-6,8-11H,7,12-17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	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 Wistar rat 5-HT1A receptor after 20 mins by liquid scintillation counting method				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.900	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]LSD from recombinant human 5-HT6 receptor expressed in CHO cells cell membranes after 60 mins by liquid scintillation counting me...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM152782 (1-[(2,5-dimethylphenoxy)propyl]-4-(2-methoxyphenyl...) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)ccc2C)CC1 Show InChI InChI=1S/C22H30N2O2.ClH/c1-18-9-10-19(2)22(17-18)26-16-6-11-23-12-14-24(15-13-23)20-7-4-5-8-21(20)25-3;/h4-5,7-10,17H,6,11-16H2,1-3H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Jagiellonian University Medical College					Assay Description Binding experiments were conducted in 96-well microplates in a total volume of 250 μL of buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 0.5 mM EDTA...				Chem Biol Drug Des 89: 339-352 (2017) Article DOI: 10.1111/cbdd.12842 BindingDB Entry DOI: 10.7270/Q2PN94GQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM152784 (1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1 Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<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 human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM152786 (1-[(2-chloro-6-methylphenoxy)ethoxyethyl]-4-(2-met...) Show SMILES Cl.COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2Cl)CC1 Show InChI InChI=1S/C22H29ClN2O3.ClH/c1-18-6-5-7-19(23)22(18)28-17-16-27-15-14-24-10-12-25(13-11-24)20-8-3-4-9-21(20)26-2;/h3-9H,10-17H2,1-2H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM152784 (1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1 Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Jagiellonian University Medical College					Assay Description Binding experiments were conducted in 96-well microplates in a total volume of 250 μL of buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 0.5 mM EDTA...				Chem Biol Drug Des 89: 339-352 (2017) Article DOI: 10.1111/cbdd.12842 BindingDB Entry DOI: 10.7270/Q2PN94GQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.70	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]LSD from recombinant human 5-HT7 receptor expressed in CHO cells cell membranes after 60 mins by liquid scintillation counting me...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50197357 (CHEMBL3958008) Show SMILES Cl.COc1ccccc1N1CCN(CCCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C23H32N2O2/c1-19-9-8-10-20(2)23(19)27-18-7-6-13-24-14-16-25(17-15-24)21-11-4-5-12-22(21)26-3/h4-5,8-12H,6-7,13-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	2	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 human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5315-5321 (2016) Article DOI: 10.1016/j.bmcl.2016.09.037 BindingDB Entry DOI: 10.7270/Q24J0H3X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50457578 (CHEMBL4209888) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1 Show InChI InChI=1S/C22H30N2O2/c1-18-9-10-21(19(2)17-18)26-16-6-11-23-12-14-24(15-13-23)20-7-4-5-8-22(20)25-3/h4-5,7-10,17H,6,11-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	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 recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation countin...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	2	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 Binding affinity to histamine H1 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50457575 (CHEMBL3979261) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C22H30N2O2/c1-18-8-6-9-19(2)22(18)26-17-7-12-23-13-15-24(16-14-23)20-10-4-5-11-21(20)25-3/h4-6,8-11H,7,12-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	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 rat cerebral cortex adrenergic receptor alpha1 by liquid scintillation counting method				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50222218 (CHEBI:51137 | Mianserin) Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3.20	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 recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counti...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50197365 (CHEMBL3979966) Show SMILES Cl.Cl.Cc1cccc(Cl)c1OCCCCN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H27ClN2O/c1-18-8-7-11-20(22)21(18)25-17-6-5-12-23-13-15-24(16-14-23)19-9-3-2-4-10-19/h2-4,7-11H,5-6,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5315-5321 (2016) Article DOI: 10.1016/j.bmcl.2016.09.037 BindingDB Entry DOI: 10.7270/Q24J0H3X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank 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]LSD from human 5HT6 receptor expressed in HEK293 cells after 1 hr				Bioorg Med Chem Lett 23: 4419-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.062 BindingDB Entry DOI: 10.7270/Q2SX6H5S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	4	-47.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB 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]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation countin...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	4.60	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 human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5315-5321 (2016) Article DOI: 10.1016/j.bmcl.2016.09.037 BindingDB Entry DOI: 10.7270/Q24J0H3X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50197356 (CHEMBL3971078) Show SMILES Cl.Cl.COc1ccccc1N1CCN(CCOCCOc2cccc(C)c2C)CC1 Show InChI InChI=1S/C23H32N2O3/c1-19-7-6-10-22(20(19)2)28-18-17-27-16-15-24-11-13-25(14-12-24)21-8-4-5-9-23(21)26-3/h4-10H,11-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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 human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5315-5321 (2016) Article DOI: 10.1016/j.bmcl.2016.09.037 BindingDB Entry DOI: 10.7270/Q24J0H3X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50457572 (CHEMBL4207653) Show SMILES Cl.Cl.COc1ccccc1N1CCN(CCOCCOc2c(C)cc(C)cc2C)CC1 Show InChI InChI=1S/C24H34N2O3/c1-19-17-20(2)24(21(3)18-19)29-16-15-28-14-13-25-9-11-26(12-10-25)22-7-5-6-8-23(22)27-4/h5-8,17-18H,9-16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	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 recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation countin...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50197355 (CHEMBL3921558) Show SMILES Cl.Cl.Cc1cccc(OCCCN2CCN(CC2)c2ccccc2)c1C Show InChI InChI=1S/C21H28N2O/c1-18-8-6-11-21(19(18)2)24-17-7-12-22-13-15-23(16-14-22)20-9-4-3-5-10-20/h3-6,8-11H,7,12-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	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 human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5315-5321 (2016) Article DOI: 10.1016/j.bmcl.2016.09.037 BindingDB Entry DOI: 10.7270/Q24J0H3X
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50272484 (CHEMBL4129458) Show SMILES Cl.CC(C)(C)NCC(O)COc1cccc2c1oc1ccccc1c2=O Show InChI InChI=1S/C20H23NO4.ClH/c1-20(2,3)21-11-13(22)12-24-17-10-6-8-15-18(23)14-7-4-5-9-16(14)25-19(15)17;/h4-10,13,21-22H,11-12H2,1-3H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	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]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...				Bioorg Med Chem 26: 3773-3784 (2018) Article DOI: 10.1016/j.bmc.2018.04.038 BindingDB Entry DOI: 10.7270/Q2XG9TM7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	5.90	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]methylspiperonee from recombinant human D2 receptor expressed in HEK293 cells cell membranes after 60 mins by liquid scintillatio...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM152783 (1-[(2,3,5-trimethylphenoxy)propyl]-4-(2-methoxyphe...) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)cc(C)c2C)CC1 Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)20(3)23(17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7	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]CGP-12177 from beta1 adrenergic receptor in rat brain cerebral cortex after 60 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5315-5321 (2016) Article DOI: 10.1016/j.bmcl.2016.09.037 BindingDB Entry DOI: 10.7270/Q24J0H3X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50069447 (1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...) Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	7	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 Binding affinity to rat 5HT2A receptor				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126679 BindingDB Entry DOI: 10.7270/Q2445QV1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50115644 ((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...) Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21 Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	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 Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126679 BindingDB Entry DOI: 10.7270/Q2445QV1
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50457578 (CHEMBL4209888) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1 Show InChI InChI=1S/C22H30N2O2/c1-18-9-10-21(19(2)17-18)26-16-6-11-23-12-14-24(15-13-23)20-7-4-5-8-22(20)25-3/h4-5,7-10,17H,6,11-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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]prazosin from recombinant human alpha1 adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation countin...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50272483 (CHEMBL4128794) Show SMILES Cl.COc1ccccc1CNCC(O)COc1cccc2c1oc1ccccc1c2=O Show InChI InChI=1S/C24H23NO5.ClH/c1-28-20-10-4-2-7-16(20)13-25-14-17(26)15-29-22-12-6-9-19-23(27)18-8-3-5-11-21(18)30-24(19)22;/h2-12,17,25-26H,13-15H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...				Bioorg Med Chem 26: 3773-3784 (2018) Article DOI: 10.1016/j.bmc.2018.04.038 BindingDB Entry DOI: 10.7270/Q2XG9TM7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	12	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 human 5HT1A receptor expressed in HEK293 cells after 1 hr				Bioorg Med Chem Lett 23: 4419-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.062 BindingDB Entry DOI: 10.7270/Q2SX6H5S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	12	-45.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	12	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 recombinant human alpha1 adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation countin...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50197354 (CHEMBL3949348) Show SMILES Cl.Cl.Cc1cccc(OCCN2CCN(CC2)c2ccccc2)c1C Show InChI InChI=1S/C20H26N2O/c1-17-7-6-10-20(18(17)2)23-16-15-21-11-13-22(14-12-21)19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5315-5321 (2016) Article DOI: 10.1016/j.bmcl.2016.09.037 BindingDB Entry DOI: 10.7270/Q24J0H3X
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50457577 (CHEMBL4213352) Show SMILES Cl.Cl.COc1ccccc1N1CCN(CCOCCOc2cc(C)cc(C)c2C)CC1 Show InChI InChI=1S/C24H34N2O3/c1-19-17-20(2)21(3)24(18-19)29-16-15-28-14-13-25-9-11-26(12-10-25)22-7-5-6-8-23(22)27-4/h5-8,17-18H,9-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	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 recombinant human alpha1 adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation countin...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50457578 (CHEMBL4209888) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1 Show InChI InChI=1S/C22H30N2O2/c1-18-9-10-21(19(2)17-18)26-16-6-11-23-12-14-24(15-13-23)20-7-4-5-8-22(20)25-3/h4-5,7-10,17H,6,11-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	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]LSD from recombinant human 5-HT7 receptor expressed in CHO cells cell membranes after 60 mins by liquid scintillation counting me...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM152781 (1-[(2-chloro-5-methylphenoxy)propyl]-4-(2-methoxyp...) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)ccc2Cl)CC1 Show InChI InChI=1S/C21H27ClN2O2.ClH/c1-17-8-9-18(22)21(16-17)26-15-5-10-23-11-13-24(14-12-23)19-6-3-4-7-20(19)25-2;/h3-4,6-9,16H,5,10-15H2,1-2H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	-44.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50457572 (CHEMBL4207653) Show SMILES Cl.Cl.COc1ccccc1N1CCN(CCOCCOc2c(C)cc(C)cc2C)CC1 Show InChI InChI=1S/C24H34N2O3/c1-19-17-20(2)24(21(3)18-19)29-16-15-28-14-13-25-9-11-26(12-10-25)22-7-5-6-8-23(22)27-4/h5-8,17-18H,9-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	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 recombinant human alpha1 adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation countin...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	18	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]5-CT from human 5HT7b receptor expressed in HEK293 cells after 1 hr				Bioorg Med Chem Lett 23: 4419-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.062 BindingDB Entry DOI: 10.7270/Q2SX6H5S
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	18	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-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting				Bioorg Med Chem Lett 23: 4419-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.062 BindingDB Entry DOI: 10.7270/Q2SX6H5S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50115644 ((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...) Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21 Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	18	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 Binding affinity to human 5HT1A receptor				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126679 BindingDB Entry DOI: 10.7270/Q2445QV1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	18	-44.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50457576 (CHEMBL4212812) Show SMILES Cl.Cl.Cc1cc(OCCCN2CCN(CC2)c2ccccc2)ccc1Cl Show InChI InChI=1S/C20H25ClN2O/c1-17-16-19(8-9-20(17)21)24-15-5-10-22-11-13-23(14-12-22)18-6-3-2-4-7-18/h2-4,6-9,16H,5,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	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 recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation countin...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM152785 (1-[(2,6-dimethylphenoxy)ethoxyethyl]-4-(2-methoxyp...) Show SMILES COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C23H32N2O3.ClH/c1-19-7-6-8-20(2)23(19)28-18-17-27-16-15-24-11-13-25(14-12-24)21-9-4-5-10-22(21)26-3;/h4-10H,11-18H2,1-3H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	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]-prazosin from Wistar rat cerebral cortex membranes alpha1 adrenoceptor by liquid scintillation counting method				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM152782 (1-[(2,5-dimethylphenoxy)propyl]-4-(2-methoxyphenyl...) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)ccc2C)CC1 Show InChI InChI=1S/C22H30N2O2.ClH/c1-18-9-10-19(2)22(17-18)26-16-6-11-23-12-14-24(15-13-23)20-7-4-5-8-21(20)25-3;/h4-5,7-10,17H,6,11-16H2,1-3H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	-43.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50492426 (CHEMBL2401931) Show SMILES Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O Show InChI InChI=1S/C26H26N2O4/c1-30-19-10-11-20-24(16-19)32-26-18(6-5-7-21(26)25(20)29)17-27-12-14-28(15-13-27)22-8-3-4-9-23(22)31-2/h3-11,16H,12-15,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	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 Antagonist activity at human 5-HT1A receptor expressed in CHO-K1 cells co-expressing aequorin incubated for 1 hr measured for 30 secs in presence of ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126679 BindingDB Entry DOI: 10.7270/Q2445QV1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50492426 (CHEMBL2401931) Show SMILES Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O Show InChI InChI=1S/C26H26N2O4/c1-30-19-10-11-20-24(16-19)32-26-18(6-5-7-21(26)25(20)29)17-27-12-14-28(15-13-27)22-8-3-4-9-23(22)31-2/h3-11,16H,12-15,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	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 human 5HT1A receptor expressed in HEK293 cells after 1 hr				Bioorg Med Chem Lett 23: 4419-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.062 BindingDB Entry DOI: 10.7270/Q2SX6H5S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM152783 (1-[(2,3,5-trimethylphenoxy)propyl]-4-(2-methoxyphe...) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)cc(C)c2C)CC1 Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)20(3)23(17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	-43.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair

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