Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50003382   

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 2A (Rattus norvegicus (rat))	BDBM50469883 (CHEBI:584020 | Deseril | Methysergide) Show SMILES [H][C@@]12Cc3cn(C)c4cccc(C1=C[C@H](CN2C)C(=O)NC(CC)CO)c34 |c:13| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15?,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor rat frontal cortex membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409497 (CHEMBL87717) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2Cc3ccccc3C2=O)CC1 Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-16(6-8-20)22(26)17-9-12-25(13-10-17)14-11-19-15-18-3-1-2-4-21(18)23(19)27/h1-8,17,19H,9-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor rat frontal cortex membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409514 (CHEMBL87458) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1 Show InChI InChI=1S/C23H23F2NO2/c24-19-3-1-15(2-4-19)22(27)16-7-10-26(11-8-16)12-9-17-13-18-14-20(25)5-6-21(18)23(17)28/h1-6,14,16-17H,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor rat frontal cortex membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					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	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]-spiperone 23390 binding to dopamine receptor D2 rat striatal membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409509 (CHEMBL87943) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H26FNO2/c25-21-9-7-18(8-10-21)23(27)20-12-15-26(16-13-20)14-11-19-6-5-17-3-1-2-4-22(17)24(19)28/h1-4,7-10,19-20H,5-6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor rat frontal cortex membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409488 (CHEMBL87026) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C25H28FNO2/c26-22-10-8-20(9-11-22)24(28)21-13-16-27(17-14-21)15-12-19-6-3-5-18-4-1-2-7-23(18)25(19)29/h1-2,4,7-11,19,21H,3,5-6,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor rat frontal cortex membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (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	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor rat frontal cortex membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409488 (CHEMBL87026) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C25H28FNO2/c26-22-10-8-20(9-11-22)24(28)21-13-16-27(17-14-21)15-12-19-6-3-5-18-4-1-2-7-23(18)25(19)29/h1-2,4,7-11,19,21H,3,5-6,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]-spiperone 23390 binding to dopamine receptor D2 rat striatal membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409514 (CHEMBL87458) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1 Show InChI InChI=1S/C23H23F2NO2/c24-19-3-1-15(2-4-19)22(27)16-7-10-26(11-8-16)12-9-17-13-18-14-20(25)5-6-21(18)23(17)28/h1-6,14,16-17H,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]-spiperone 23390 binding to dopamine receptor D2 rat striatal membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409509 (CHEMBL87943) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H26FNO2/c25-21-9-7-18(8-10-21)23(27)20-12-15-26(16-13-20)14-11-19-6-5-17-3-1-2-4-22(17)24(19)28/h1-4,7-10,19-20H,5-6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]-spiperone 23390 binding to dopamine receptor D2 rat striatal membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409497 (CHEMBL87717) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2Cc3ccccc3C2=O)CC1 Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-16(6-8-20)22(26)17-9-12-25(13-10-17)14-11-19-15-18-3-1-2-4-21(18)23(19)27/h1-8,17,19H,9-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]-spiperone 23390 binding to dopamine receptor D2 rat striatal membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 rat striatal membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409514 (CHEMBL87458) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1 Show InChI InChI=1S/C23H23F2NO2/c24-19-3-1-15(2-4-19)22(27)16-7-10-26(11-8-16)12-9-17-13-18-14-20(25)5-6-21(18)23(17)28/h1-6,14,16-17H,7-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 rat striatal membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409488 (CHEMBL87026) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C25H28FNO2/c26-22-10-8-20(9-11-22)24(28)21-13-16-27(17-14-21)15-12-19-6-3-5-18-4-1-2-7-23(18)25(19)29/h1-2,4,7-11,19,21H,3,5-6,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 rat striatal membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409509 (CHEMBL87943) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H26FNO2/c25-21-9-7-18(8-10-21)23(27)20-12-15-26(16-13-20)14-11-19-6-5-17-3-1-2-4-22(17)24(19)28/h1-4,7-10,19-20H,5-6,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 rat striatal membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409497 (CHEMBL87717) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2Cc3ccccc3C2=O)CC1 Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-16(6-8-20)22(26)17-9-12-25(13-10-17)14-11-19-15-18-3-1-2-4-21(18)23(19)27/h1-8,17,19H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 rat striatal membrane				J Med Chem 37: 2564-73 (1994) Article DOI: 10.1021/jm00042a009 BindingDB Entry DOI: 10.7270/Q25H7K01
					More data for this Ligand-Target Pair