Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50002069   

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
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]quinuclidinyl benzilate (QNB) from Muscarinic acetylcholine receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-haloperidol from Dopamine receptor D2 in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]WB-4101 from alpha-1 adrenergic receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor as antagonism of serotonin-induced contractions in rat jugular vein				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-cis-flupenthixol from Dopamine receptor D1 in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha-2 adrenergic receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from serotonin-1 neurotransmitter receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019968 (7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...) Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10| Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-haloperidol from Dopamine receptor D2 in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50019968 (7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...) Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10| Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]quinuclidinyl benzilate(QNB) from Muscarinic acetylcholine receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019968 (7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...) Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10| Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]WB-4101 from alpha-1 adrenergic receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50019968 (7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...) Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10| Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha-2 adrenergic receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50019968 (7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...) Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10| Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from serotonin-1 neurotransmitter receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50019968 (7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...) Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10| Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from 5-hydroxytryptamine 2 receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50019968 (7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...) Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10| Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-DHA (Dihydroalprenolol) from beta-1 adrenergic receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-DHA (Dihydroalprenolol) from beta-2 adrenergic receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50019968 (7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...) Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10| Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-cis-flupenthixol from Dopamine receptor D1 in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50019968 (7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...) Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10| Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-DHA (Dihydroalprenolol) from beta-2 adrenergic receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-DHA (Dihydroalprenolol) from beta-1 adrenergic receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-CHA (N6-Cyclohexyl adenosine) from adenosine A1 receptor receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S (Rattus norvegicus-RAT)	BDBM50019968 (7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...) Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10| Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]nitrendipine from L-type [Ca2+] channel of rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50019968 (7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...) Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10| Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-CHA (N6-Cyclohexyl adenosine) from adenosine A1 receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair