Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'calderó' and Initial = 'jm'   

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 3A/3B (Rattus norvegicus-RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50045582 (3-(4-Allyl-piperazin-1-yl)-quinoxaline-2-carbonitr...) Show SMILES C=CCN1CCN(CC1)c1nc2ccccc2nc1C#N Show InChI InChI=1S/C16H17N5/c1-2-7-20-8-10-21(11-9-20)16-15(12-17)18-13-5-3-4-6-14(13)19-16/h2-6H,1,7-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50045585 (3-(4-Propyl-piperazin-1-yl)-quinoxaline-2-carbonit...) Show SMILES CCCN1CCN(CC1)c1nc2ccccc2nc1C#N Show InChI InChI=1S/C16H19N5/c1-2-7-20-8-10-21(11-9-20)16-15(12-17)18-13-5-3-4-6-14(13)19-16/h3-6H,2,7-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50045583 (3-Piperazin-1-yl-quinoxaline-2-carbonitrile | CHEM...) Show SMILES N#Cc1nc2ccccc2nc1N1CCNCC1 Show InChI InChI=1S/C13H13N5/c14-9-12-13(18-7-5-15-6-8-18)17-11-4-2-1-3-10(11)16-12/h1-4,15H,5-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50045586 (3-(4-Ethyl-piperazin-1-yl)-quinoxaline-2-carbonitr...) Show SMILES CCN1CCN(CC1)c1nc2ccccc2nc1C#N Show InChI InChI=1S/C15H17N5/c1-2-19-7-9-20(10-8-19)15-14(11-16)17-12-5-3-4-6-13(12)18-15/h3-6H,2,7-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50045583 (3-Piperazin-1-yl-quinoxaline-2-carbonitrile | CHEM...) Show SMILES N#Cc1nc2ccccc2nc1N1CCNCC1 Show InChI InChI=1S/C13H13N5/c14-9-12-13(18-7-5-15-6-8-18)17-11-4-2-1-3-10(11)16-12/h1-4,15H,5-8H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	345	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]-5-HT to 5-hydroxytryptamine 1 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50045586 (3-(4-Ethyl-piperazin-1-yl)-quinoxaline-2-carbonitr...) Show SMILES CCN1CCN(CC1)c1nc2ccccc2nc1C#N Show InChI InChI=1S/C15H17N5/c1-2-19-7-9-20(10-8-19)15-14(11-16)17-12-5-3-4-6-13(12)18-15/h3-6H,2,7-10H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]-5-HT to 5-hydroxytryptamine 1 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50045582 (3-(4-Allyl-piperazin-1-yl)-quinoxaline-2-carbonitr...) Show SMILES C=CCN1CCN(CC1)c1nc2ccccc2nc1C#N Show InChI InChI=1S/C16H17N5/c1-2-7-20-8-10-21(11-9-20)16-15(12-17)18-13-5-3-4-6-14(13)19-16/h2-6H,1,7-11H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]-5-HT to 5-hydroxytryptamine 1 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50045585 (3-(4-Propyl-piperazin-1-yl)-quinoxaline-2-carbonit...) Show SMILES CCCN1CCN(CC1)c1nc2ccccc2nc1C#N Show InChI InChI=1S/C16H19N5/c1-2-7-20-8-10-21(11-9-20)16-15(12-17)18-13-5-3-4-6-14(13)19-16/h3-6H,2,7-11H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]-5-HT to 5-hydroxytryptamine 1 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]-5-HT to 5-hydroxytryptamine 1 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of binding of [3H]5-HT to 5-hydroxytryptamine 1 receptor in rat cerebral cortex				J Med Chem 36: 2745-50 (1993) BindingDB Entry DOI: 10.7270/Q2FX7B2N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50041377 (2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-b...) Show SMILES C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H19N3O2S/c1-2-4-18-15(3-1)20-19(25-18)22-9-7-21(8-10-22)12-14-5-6-16-17(11-14)24-13-23-16/h1-6,11H,7-10,12-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50041381 (2-(4-Benzyl-piperazin-1-yl)-benzothiazole | CHEMBL...) Show SMILES C(N1CCN(CC1)c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C18H19N3S/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50041388 (2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-b...) Show SMILES C(N1CCN(CC1)c1nc2ccccc2o1)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H19N3O3/c1-2-4-16-15(3-1)20-19(25-16)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)24-13-23-17/h1-6,11H,7-10,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50041380 (2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-benzothiazo...) Show SMILES Clc1cccc(c1)N1CCN(CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C17H16ClN3S/c18-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17-19-15-6-1-2-7-16(15)22-17/h1-7,12H,8-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50041385 (2-(4-Benzothiazol-2-yl-piperazin-1-yl)-phenol | CH...) Show SMILES Oc1ccccc1N1CCN(CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C17H17N3OS/c21-15-7-3-2-6-14(15)19-9-11-20(12-10-19)17-18-13-5-1-4-8-16(13)22-17/h1-8,21H,9-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50041381 (2-(4-Benzyl-piperazin-1-yl)-benzothiazole | CHEMBL...) Show SMILES C(N1CCN(CC1)c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C18H19N3S/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50041388 (2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-b...) Show SMILES C(N1CCN(CC1)c1nc2ccccc2o1)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H19N3O3/c1-2-4-16-15(3-1)20-19(25-16)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)24-13-23-17/h1-6,11H,7-10,12-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50041387 (2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-benzothiaz...) Show SMILES COc1ccccc1N1CCN(CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C18H19N3OS/c1-22-16-8-4-3-7-15(16)20-10-12-21(13-11-20)18-19-14-6-2-5-9-17(14)23-18/h2-9H,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50041382 (2-[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-benzothiazo...) Show SMILES CCOc1ccccc1N1CCN(CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C19H21N3OS/c1-2-23-17-9-5-4-8-16(17)21-11-13-22(14-12-21)19-20-15-7-3-6-10-18(15)24-19/h3-10H,2,11-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50041387 (2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-benzothiaz...) Show SMILES COc1ccccc1N1CCN(CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C18H19N3OS/c1-22-16-8-4-3-7-15(16)20-10-12-21(13-11-20)18-19-14-6-2-5-9-17(14)23-18/h2-9H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50041379 (2-(4-Benzyl-piperazin-1-yl)-benzooxazole | CHEMBL2...) Show SMILES C(N1CCN(CC1)c1nc2ccccc2o1)c1ccccc1 Show InChI InChI=1S/C18H19N3O/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50041378 (2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-benzooxazo...) Show SMILES COc1ccccc1N1CCN(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C18H19N3O2/c1-22-17-9-5-3-7-15(17)20-10-12-21(13-11-20)18-19-14-6-2-4-8-16(14)23-18/h2-9H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50041383 (2-(4-Benzooxazol-2-yl-piperazin-1-yl)-phenol | CHE...) Show SMILES Oc1ccccc1N1CCN(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C17H17N3O2/c21-15-7-3-2-6-14(15)19-9-11-20(12-10-19)17-18-13-5-1-4-8-16(13)22-17/h1-8,21H,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50041377 (2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-b...) Show SMILES C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H19N3O2S/c1-2-4-18-15(3-1)20-19(25-18)22-9-7-21(8-10-22)12-14-5-6-16-17(11-14)24-13-23-16/h1-6,11H,7-10,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50041385 (2-(4-Benzothiazol-2-yl-piperazin-1-yl)-phenol | CH...) Show SMILES Oc1ccccc1N1CCN(CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C17H17N3OS/c21-15-7-3-2-6-14(15)19-9-11-20(12-10-19)17-18-13-5-1-4-8-16(13)22-17/h1-8,21H,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50041383 (2-(4-Benzooxazol-2-yl-piperazin-1-yl)-phenol | CHE...) Show SMILES Oc1ccccc1N1CCN(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C17H17N3O2/c21-15-7-3-2-6-14(15)19-9-11-20(12-10-19)17-18-13-5-1-4-8-16(13)22-17/h1-8,21H,9-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50041382 (2-[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-benzothiazo...) Show SMILES CCOc1ccccc1N1CCN(CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C19H21N3OS/c1-2-23-17-9-5-4-8-16(17)21-11-13-22(14-12-21)19-20-15-7-3-6-10-18(15)24-19/h3-10H,2,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50041380 (2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-benzothiazo...) Show SMILES Clc1cccc(c1)N1CCN(CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C17H16ClN3S/c18-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17-19-15-6-1-2-7-16(15)22-17/h1-7,12H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50041379 (2-(4-Benzyl-piperazin-1-yl)-benzooxazole | CHEMBL2...) Show SMILES C(N1CCN(CC1)c1nc2ccccc2o1)c1ccccc1 Show InChI InChI=1S/C18H19N3O/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from D2 dopamine receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50041378 (2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-benzooxazo...) Show SMILES COc1ccccc1N1CCN(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C18H19N3O2/c1-22-17-9-5-3-7-15(17)20-10-12-21(13-11-20)18-19-14-6-2-4-8-16(14)23-18/h2-9H,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIFA Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor				J Med Chem 37: 1320-5 (1994) BindingDB Entry DOI: 10.7270/Q2PR7WNB
					More data for this Ligand-Target Pair