Compile Data Set for Download or QSAR

Found 15 hits of kd data for polymerid = 2152,2154,3627,3737,49000035,49000077,49000089,6548,7150,8334   

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 1A (Rattus norvegicus (rat))	BDBM86708 (CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity for 5-hydroxytryptamine 1A receptor was determined by measuring specific inhibition of [125I]-binding to rat hippocampal me...				J Med Chem 41: 157-66 (1998) Article DOI: 10.1021/jm970296s BindingDB Entry DOI: 10.7270/Q2TX3DH6
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5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50590663 (CHEMBL5175726) Show SMILES CC1(CCN(CCCOc2ccc(F)cc2)CC1)NC(=O)c1ccc(N)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
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5-hydroxytryptamine receptor 3A (RAT)	BDBM50288285 (CHEMBL90314 | N-(S)-1-Aza-bicyclo[2.2.2]oct-3-yl-5...) Show SMILES COc1c(I)cc(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wU:13.13,(16.29,-14.6,;16.29,-13.05,;14.96,-12.28,;13.61,-13.05,;13.61,-14.67,;12.28,-12.28,;12.28,-10.73,;10.87,-9.92,;13.61,-9.96,;14.96,-10.73,;16.29,-9.96,;16.29,-8.41,;17.64,-10.73,;18.97,-9.96,;20.29,-10.73,;21.62,-9.97,;21.63,-8.44,;20.3,-7.66,;18.95,-8.42,;19.71,-9.75,;21.04,-8.99,)| Show InChI InChI=1S/C15H18ClIN2O2/c1-21-14-11(6-10(16)7-12(14)17)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8H2,1H3,(H,18,20)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for its antagonistic activity against 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 2657-2662 (1996) Article DOI: 10.1016/S0960-894X(96)00497-0 BindingDB Entry DOI: 10.7270/Q20V8CRP
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5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50035508 (4-Iodo-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(I)cc2)c2ccccn2)CC1 Show InChI InChI=1S/C25H27IN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description The binding of [125I]MPPI ligand to 5-hydroxytryptamine 1A receptor of rat hippocampal homogenates				J Med Chem 37: 1406-7 (1994) BindingDB Entry DOI: 10.7270/Q29Z95JQ
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5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50007170 (Adamantane-1-carboxylic acid {4-[4-(2-methoxy-phen...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:20.21.22,26:21:28:27.25.24| Show InChI InChI=1S/C26H39N3O2/c1-31-24-7-3-2-6-23(24)29-12-10-28(11-13-29)9-5-4-8-27-25(30)26-17-20-14-21(18-26)16-22(15-20)19-26/h2-3,6-7,20-22H,4-5,8-19H2,1H3,(H,27,30)/t20-,21+,22-,26?	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-8-OH-PIPAT ligand to 5-hydroxytryptamine 1A receptor of rat hippocampal homogenates				J Med Chem 37: 1406-7 (1994) BindingDB Entry DOI: 10.7270/Q29Z95JQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50000492 ((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its antagonistic activity against 5-hydroxytryptamine 3 receptor in rat brain using [3H]-zacopride as the radioligand.				Bioorg Med Chem Lett 6: 2657-2662 (1996) Article DOI: 10.1016/S0960-894X(96)00497-0 BindingDB Entry DOI: 10.7270/Q20V8CRP
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5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50092543 (4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrim...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description ,Antagonism of stimulation of 5-hydroxytryptamine receptor on the L-type calcium current (I Ca) in isolated human atrial myocytes				J Med Chem 43: 3761-9 (2000) BindingDB Entry DOI: 10.7270/Q2CC0ZXH
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5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50122872 (4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...) Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12 Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
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5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against the site labelled by the 5-hydroxytryptamine 1A receptor agonist [3H]- 8-OH-DPAT				J Med Chem 37: 4346-51 (1995) BindingDB Entry DOI: 10.7270/Q2HM57H0
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5-hydroxytryptamine receptor 3A (RAT)	BDBM50288284 (4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-iodo-2-...) Show SMILES COc1cc(N)c(I)cc1C(=O)NC1CN2CCC1CC2 |(16.09,-14.57,;16.09,-13.02,;14.76,-12.26,;13.41,-13.02,;12.08,-12.26,;10.74,-13.02,;12.08,-10.71,;10.74,-9.94,;13.41,-9.94,;14.76,-10.71,;16.09,-9.94,;16.09,-8.4,;17.42,-10.71,;18.74,-9.94,;20.07,-10.71,;21.39,-9.95,;21.42,-8.42,;20.08,-7.64,;18.74,-8.41,;19.5,-9.73,;20.82,-8.97,)| Show InChI InChI=1S/C15H20IN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards 5-HT-3 receptor in whole rat brain using (S)-[125I]-zacopride as the radioligand.				Bioorg Med Chem Lett 6: 2657-2662 (1996) Article DOI: 10.1016/S0960-894X(96)00497-0 BindingDB Entry DOI: 10.7270/Q20V8CRP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM29525 (3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...) Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human 5HT4 receptor expressed in HEK293 cells by saturation binding method				J Nat Prod 69: 1421-4 (2006) Article DOI: 10.1021/np0601760 BindingDB Entry DOI: 10.7270/Q2H9950V
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5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	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 KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1C receptor was determined				J Med Chem 36: 1918-9 (1993) Article DOI: 10.1021/jm00065a015 BindingDB Entry DOI: 10.7270/Q2JS9SNZ
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5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM85099 (CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...) Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r| Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor in membranes of N1E-115 neuroblastoma cells using [3H]-ICS 205-930				J Med Chem 38: 28-33 (1995) Article DOI: 10.1021/jm00001a007 BindingDB Entry DOI: 10.7270/Q2C2505V
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5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM21392 (3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...) Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1C receptor was determined				J Med Chem 36: 1918-9 (1993) Article DOI: 10.1021/jm00065a015 BindingDB Entry DOI: 10.7270/Q2JS9SNZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM85099 (CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...) Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r| Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor in membranes of N1E-115 neuroblastoma cells using [3H]-ICS 205-930; Not determined				J Med Chem 38: 28-33 (1995) Article DOI: 10.1021/jm00001a007 BindingDB Entry DOI: 10.7270/Q2C2505V
					More data for this Ligand-Target Pair