Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50002088   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020177 (1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-6-yl)-4-(5...) Show SMILES C(N1CCN(CC1)c1cccc2OCCCOc12)c1ccc([nH]1)-c1ccccc1 Show InChI InChI=1S/C24H27N3O2/c1-2-6-19(7-3-1)21-11-10-20(25-21)18-26-12-14-27(15-13-26)22-8-4-9-23-24(22)29-17-5-16-28-23/h1-4,6-11,25H,5,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020182 (1-(2-Methoxy-phenyl)-4-(5-phenyl-1H-pyrrol-2-ylmet...) Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)25-15-13-24(14-16-25)17-19-11-12-20(23-19)18-7-3-2-4-8-18/h2-12,23H,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019959 (1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...) Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019961 (1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-...) Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H24FN3O/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)16-19-10-11-20(24-19)17-6-8-18(23)9-7-17/h2-11,24H,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020185 (4-(2-Methoxy-phenyl)-1-(5-phenyl-1H-pyrrol-2-ylmet...) Show SMILES COc1ccccc1C1CCN(Cc2ccc([nH]2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H26N2O/c1-26-23-10-6-5-9-21(23)18-13-15-25(16-14-18)17-20-11-12-22(24-20)19-7-3-2-4-8-19/h2-12,18,24H,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020173 (1-[5-(2,6-Difluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4...) Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2c(F)cccc2F)CC1 Show InChI InChI=1S/C22H23F2N3O/c1-28-21-8-3-2-7-20(21)27-13-11-26(12-14-27)15-16-9-10-19(25-16)22-17(23)5-4-6-18(22)24/h2-10,25H,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					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	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50020180 (4-(4-Benzofuran-7-yl-piperazin-1-yl)-1-(4-fluoro-p...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccc2ccoc12 Show InChI InChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)21(26)5-2-11-24-12-14-25(15-13-24)20-4-1-3-18-10-16-27-22(18)20/h1,3-4,6-10,16H,2,5,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019959 (1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...) Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019960 (4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020191 (1-[5-(3-Chloro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-...) Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2cccc(Cl)c2)CC1 Show InChI InChI=1S/C22H24ClN3O/c1-27-22-8-3-2-7-21(22)26-13-11-25(12-14-26)16-19-9-10-20(24-19)17-5-4-6-18(23)15-17/h2-10,15,24H,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020180 (4-(4-Benzofuran-7-yl-piperazin-1-yl)-1-(4-fluoro-p...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccc2ccoc12 Show InChI InChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)21(26)5-2-11-24-12-14-25(15-13-24)20-4-1-3-18-10-16-27-22(18)20/h1,3-4,6-10,16H,2,5,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020181 (1-(2-Methoxy-phenyl)-4-[5-(2-methoxy-phenyl)-1H-py...) Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccccc2OC)CC1 Show InChI InChI=1S/C23H27N3O2/c1-27-22-9-5-3-7-19(22)20-12-11-18(24-20)17-25-13-15-26(16-14-25)21-8-4-6-10-23(21)28-2/h3-12,24H,13-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019956 (1-[5-(5-Ethanesulfonyl-2-methoxy-phenyl)-1H-pyrrol...) Show SMILES CCS(=O)(=O)c1ccc(OC)c(c1)-c1ccc(CN2CCN(CC2)c2ccccc2OC)[nH]1 Show InChI InChI=1S/C25H31N3O4S/c1-4-33(29,30)20-10-12-24(31-2)21(17-20)22-11-9-19(26-22)18-27-13-15-28(16-14-27)23-7-5-6-8-25(23)32-3/h5-12,17,26H,4,13-16,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020178 (CHEMBL294633 | CHEMBL555633 | N-[2-(4-Benzofuran-7...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2ccoc12 Show InChI InChI=1S/C21H22FN3O2/c22-18-6-4-17(5-7-18)21(26)23-9-10-24-11-13-25(14-12-24)19-3-1-2-16-8-15-27-20(16)19/h1-8,15H,9-14H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50020180 (4-(4-Benzofuran-7-yl-piperazin-1-yl)-1-(4-fluoro-p...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccc2ccoc12 Show InChI InChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)21(26)5-2-11-24-12-14-25(15-13-24)20-4-1-3-18-10-16-27-22(18)20/h1,3-4,6-10,16H,2,5,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019960 (4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50020178 (CHEMBL294633 | CHEMBL555633 | N-[2-(4-Benzofuran-7...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2ccoc12 Show InChI InChI=1S/C21H22FN3O2/c22-18-6-4-17(5-7-18)21(26)23-9-10-24-11-13-25(14-12-24)19-3-1-2-16-8-15-27-20(16)19/h1-8,15H,9-14H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020186 (1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-phe...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCC(CC2)c2ccccc2)[nH]1 Show InChI InChI=1S/C22H23FN2/c23-20-8-6-19(7-9-20)22-11-10-21(24-22)16-25-14-12-18(13-15-25)17-4-2-1-3-5-17/h1-11,18,24H,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020176 ((4-Fluoro-phenyl)-{1-[5-(4-fluoro-phenyl)-1H-pyrro...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H22F2N2O/c24-19-5-1-16(2-6-19)22-10-9-21(26-22)15-27-13-11-18(12-14-27)23(28)17-3-7-20(25)8-4-17/h1-10,18,26H,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020172 (1-(4-Fluoro-phenyl)-4-[5-(4-fluoro-phenyl)-1H-pyrr...) Show SMILES Fc1ccc(cc1)N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H21F2N3/c22-17-3-1-16(2-4-17)21-10-7-19(24-21)15-25-11-13-26(14-12-25)20-8-5-18(23)6-9-20/h1-10,24H,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020188 (1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(3-...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)[nH]1 Show InChI InChI=1S/C22H21F4N3/c23-18-6-4-16(5-7-18)21-9-8-19(27-21)15-28-10-12-29(13-11-28)20-3-1-2-17(14-20)22(24,25)26/h1-9,14,27H,10-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020189 (1-[5-(4-Fluoro-phenyl)-1-methyl-1H-pyrrol-2-ylmeth...) Show SMILES COc1ccccc1N1CCN(Cc2ccc(-c3ccc(F)cc3)n2C)CC1 Show InChI InChI=1S/C23H26FN3O/c1-25-20(11-12-21(25)18-7-9-19(24)10-8-18)17-26-13-15-27(16-14-26)22-5-3-4-6-23(22)28-2/h3-12H,13-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020187 (1-(2-Methoxy-phenyl)-4-[5-(4-trifluoromethyl-pheny...) Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C23H24F3N3O/c1-30-22-5-3-2-4-21(22)29-14-12-28(13-15-29)16-19-10-11-20(27-19)17-6-8-18(9-7-17)23(24,25)26/h2-11,27H,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50020178 (CHEMBL294633 | CHEMBL555633 | N-[2-(4-Benzofuran-7...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2ccoc12 Show InChI InChI=1S/C21H22FN3O2/c22-18-6-4-17(5-7-18)21(26)23-9-10-24-11-13-25(14-12-24)19-3-1-2-16-8-15-27-20(16)19/h1-8,15H,9-14H2,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020184 (2-{2-(4-Fluoro-phenyl)-5-[4-(2-methoxy-phenyl)-pip...) Show SMILES COc1ccccc1N1CCN(Cc2ccc(-c3ccc(F)cc3)n2CCO)CC1 Show InChI InChI=1S/C24H28FN3O2/c1-30-24-5-3-2-4-23(24)27-14-12-26(13-15-27)18-21-10-11-22(28(21)16-17-29)19-6-8-20(25)9-7-19/h2-11,29H,12-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50019959 (1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...) Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019961 (1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-...) Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H24FN3O/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)16-19-10-11-20(24-19)17-6-8-18(23)9-7-17/h2-11,24H,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020179 (1-[5-(4-Isopropyl-phenyl)-1H-pyrrol-2-ylmethyl]-4-...) Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(cc2)C(C)C)CC1 Show InChI InChI=1S/C25H31N3O/c1-19(2)20-8-10-21(11-9-20)23-13-12-22(26-23)18-27-14-16-28(17-15-27)24-6-4-5-7-25(24)29-3/h4-13,19,26H,14-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020183 (1-[5-(4-Fluoro-phenyl)-1-propyl-1H-pyrrol-2-ylmeth...) Show SMILES CCCn1c(CN2CCN(CC2)c2ccccc2OC)ccc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H30FN3O/c1-3-14-29-22(12-13-23(29)20-8-10-21(26)11-9-20)19-27-15-17-28(18-16-27)24-6-4-5-7-25(24)30-2/h4-13H,3,14-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020190 ((4-Fluoro-phenyl)-{4-[5-(4-fluoro-phenyl)-1H-pyrro...) Show SMILES Fc1ccc(cc1)C(=O)N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H21F2N3O/c23-18-5-1-16(2-6-18)21-10-9-20(25-21)15-26-11-13-27(14-12-26)22(28)17-3-7-19(24)8-4-17/h1-10,25H,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020175 (1-(1,5-Diphenyl-1H-pyrrol-2-ylmethyl)-4-(2-methoxy...) Show SMILES COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)n2-c2ccccc2)CC1 Show InChI InChI=1S/C28H29N3O/c1-32-28-15-9-8-14-27(28)30-20-18-29(19-21-30)22-25-16-17-26(23-10-4-2-5-11-23)31(25)24-12-6-3-7-13-24/h2-17H,18-22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50019961 (1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-...) Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H24FN3O/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)16-19-10-11-20(24-19)17-6-8-18(23)9-7-17/h2-11,24H,12-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50019960 (4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019958 (4-(4-Chloro-phenyl)-1-[5-(4-fluoro-phenyl)-1H-pyrr...) Show SMILES OC1(CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClFN2O/c23-18-5-3-17(4-6-18)22(27)11-13-26(14-12-22)15-20-9-10-21(25-20)16-1-7-19(24)8-2-16/h1-10,25,27H,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020171 (2-{4-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-pi...) Show SMILES OCCN1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H22FN3O/c18-15-3-1-14(2-4-15)17-6-5-16(19-17)13-21-9-7-20(8-10-21)11-12-22/h1-6,19,22H,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair