Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50009865   

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))	BDBM50056378 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1 Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088696 (3-Amino-6-ethyl-2-{3-[4-(2-methoxy-phenyl)-piperaz...) Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1 Show InChI InChI=1S/C22H29N5O2S2/c1-3-16-15-17-20(31-16)24-22(27(23)21(17)28)30-14-6-9-25-10-12-26(13-11-25)18-7-4-5-8-19(18)29-2/h4-5,7-8,15H,3,6,9-14,23H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088686 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc4CCCc4c3c(=O)n2N)CC1 Show InChI InChI=1S/C23H29N5O2S2/c1-30-18-8-3-2-7-17(18)27-13-11-26(12-14-27)10-5-15-31-23-25-21-20(22(29)28(23)24)16-6-4-9-19(16)32-21/h2-3,7-8H,4-6,9-15,24H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056384 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sccc3c(=O)n2N)CC1 Show InChI InChI=1S/C20H25N5O2S2/c1-27-17-6-3-2-5-16(17)24-11-9-23(10-12-24)8-4-13-29-20-22-18-15(7-14-28-18)19(26)25(20)21/h2-3,5-7,14H,4,8-13,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088693 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES CCCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1 Show InChI InChI=1S/C23H31N5O2S2/c1-3-7-17-16-18-21(32-17)25-23(28(24)22(18)29)31-15-6-10-26-11-13-27(14-12-26)19-8-4-5-9-20(19)30-2/h4-5,8-9,16H,3,6-7,10-15,24H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088690 (3-Amino-5,6-dimethyl-2-{3-[4-(2-nitro-phenyl)-pipe...) Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccc3[N+]([O-])=O)n(N)c(=O)c2c1C Show InChI InChI=1S/C21H26N6O3S2/c1-14-15(2)32-19-18(14)20(28)26(22)21(23-19)31-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-17(16)27(29)30/h3-4,6-7H,5,8-13,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50056384 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sccc3c(=O)n2N)CC1 Show InChI InChI=1S/C20H25N5O2S2/c1-27-17-6-3-2-5-16(17)24-11-9-23(10-12-24)8-4-13-29-20-22-18-15(7-14-28-18)19(26)25(20)21/h2-3,5-7,14H,4,8-13,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088695 (2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc(N)c3c(C)c(C)sc3n2)CC1 Show InChI InChI=1S/C22H29N5OS2/c1-15-16(2)30-21-19(15)20(23)24-22(25-21)29-14-6-9-26-10-12-27(13-11-26)17-7-4-5-8-18(17)28-3/h4-5,7-8H,6,9-14H2,1-3H3,(H2,23,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088692 (3-Amino-2-{3-[4-(2-nitro-phenyl)-piperazin-1-yl]-p...) Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccccc2[N+]([O-])=O)nc2sccc2c1=O Show InChI InChI=1S/C19H22N6O3S2/c20-24-18(26)14-6-13-29-17(14)21-19(24)30-12-3-7-22-8-10-23(11-9-22)15-4-1-2-5-16(15)25(27)28/h1-2,4-6,13H,3,7-12,20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056362 (3-Amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-yl-pipera...) Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C Show InChI InChI=1S/C19H25N7OS2/c1-13-14(2)29-16-15(13)17(27)26(20)19(23-16)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6H,4,7-12,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088688 (3-Amino-2-[3-(4-pyrimidin-2-yl-piperazin-1-yl)-pro...) Show SMILES Nn1c(SCCCN2CCN(CC2)c2ncccn2)nc2sccc2c1=O Show InChI InChI=1S/C17H21N7OS2/c18-24-15(25)13-3-12-26-14(13)21-17(24)27-11-2-6-22-7-9-23(10-8-22)16-19-4-1-5-20-16/h1,3-5,12H,2,6-11,18H2	PDB 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
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50056378 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1 Show InChI InChI=1S/C22H29N5O2S2/c1-15-16(2)31-20-19(15)21(28)27(23)22(24-20)30-14-6-9-25-10-12-26(13-11-25)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088689 (1-{3-[5-(2-Ethoxy-phenyl)-[1,3,4]thiadiazol-2-ylsu...) Show SMILES CCOc1ccccc1-c1nnc(SCCCN2CCN(CC2)c2ccccc2OC)s1 Show InChI InChI=1S/C24H30N4O2S2/c1-3-30-21-11-6-4-9-19(21)23-25-26-24(32-23)31-18-8-13-27-14-16-28(17-15-27)20-10-5-7-12-22(20)29-2/h4-7,9-12H,3,8,13-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088686 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3sc4CCCc4c3c(=O)n2N)CC1 Show InChI InChI=1S/C23H29N5O2S2/c1-30-18-8-3-2-7-17(18)27-13-11-26(12-14-27)10-5-15-31-23-25-21-20(22(29)28(23)24)16-6-4-9-19(16)32-21/h2-3,7-8H,4-6,9-15,24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088691 (3-Amino-6-ethyl-2-[3-(4-pyrimidin-2-yl-piperazin-1...) Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c2=O)s1 Show InChI InChI=1S/C19H25N7OS2/c1-2-14-13-15-16(29-14)23-19(26(20)17(15)27)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6,13H,2,4,7-12,20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088687 (3-Amino-6-ethyl-2-{3-[4-(2-nitro-phenyl)-piperazin...) Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3[N+]([O-])=O)n(N)c2=O)s1 Show InChI InChI=1S/C21H26N6O3S2/c1-2-15-14-16-19(32-15)23-21(26(22)20(16)28)31-13-5-8-24-9-11-25(12-10-24)17-6-3-4-7-18(17)27(29)30/h3-4,6-7,14H,2,5,8-13,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088695 (2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyls...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc(N)c3c(C)c(C)sc3n2)CC1 Show InChI InChI=1S/C22H29N5OS2/c1-15-16(2)30-21-19(15)20(23)24-22(25-21)29-14-6-9-26-10-12-27(13-11-26)17-7-4-5-8-18(17)28-3/h4-5,7-8H,6,9-14H2,1-3H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088693 (3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]...) Show SMILES CCCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1 Show InChI InChI=1S/C23H31N5O2S2/c1-3-7-17-16-18-21(32-17)25-23(28(24)22(18)29)31-15-6-10-26-11-13-27(14-12-26)19-8-4-5-9-20(19)30-2/h4-5,8-9,16H,3,6-7,10-15,24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088696 (3-Amino-6-ethyl-2-{3-[4-(2-methoxy-phenyl)-piperaz...) Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1 Show InChI InChI=1S/C22H29N5O2S2/c1-3-16-15-17-20(31-16)24-22(27(23)21(17)28)30-14-6-9-25-10-12-26(13-11-25)18-7-4-5-8-19(18)29-2/h4-5,7-8,15H,3,6,9-14,23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088689 (1-{3-[5-(2-Ethoxy-phenyl)-[1,3,4]thiadiazol-2-ylsu...) Show SMILES CCOc1ccccc1-c1nnc(SCCCN2CCN(CC2)c2ccccc2OC)s1 Show InChI InChI=1S/C24H30N4O2S2/c1-3-30-21-11-6-4-9-19(21)23-25-26-24(32-23)31-18-8-13-27-14-16-28(17-15-27)20-10-5-7-12-22(20)29-2/h4-7,9-12H,3,8,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088692 (3-Amino-2-{3-[4-(2-nitro-phenyl)-piperazin-1-yl]-p...) Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccccc2[N+]([O-])=O)nc2sccc2c1=O Show InChI InChI=1S/C19H22N6O3S2/c20-24-18(26)14-6-13-29-17(14)21-19(24)30-12-3-7-22-8-10-23(11-9-22)15-4-1-2-5-16(15)25(27)28/h1-2,4-6,13H,3,7-12,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088690 (3-Amino-5,6-dimethyl-2-{3-[4-(2-nitro-phenyl)-pipe...) Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccc3[N+]([O-])=O)n(N)c(=O)c2c1C Show InChI InChI=1S/C21H26N6O3S2/c1-14-15(2)32-19-18(14)20(28)26(22)21(23-19)31-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-17(16)27(29)30/h3-4,6-7H,5,8-13,22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088694 (1-{3-[5-(2-Ethoxy-phenyl)-[1,3,4]thiadiazol-2-ylsu...) Show SMILES CCOc1ccccc1-c1nnc(SCCCN2CCN(CC2)c2ccccc2[N+]([O-])=O)s1 Show InChI InChI=1S/C23H27N5O3S2/c1-2-31-21-11-6-3-8-18(21)22-24-25-23(33-22)32-17-7-12-26-13-15-27(16-14-26)19-9-4-5-10-20(19)28(29)30/h3-6,8-11H,2,7,12-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088687 (3-Amino-6-ethyl-2-{3-[4-(2-nitro-phenyl)-piperazin...) Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3[N+]([O-])=O)n(N)c2=O)s1 Show InChI InChI=1S/C21H26N6O3S2/c1-2-15-14-16-19(32-15)23-21(26(22)20(16)28)31-13-5-8-24-9-11-25(12-10-24)17-6-3-4-7-18(17)27(29)30/h3-4,6-7,14H,2,5,8-13,22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088688 (3-Amino-2-[3-(4-pyrimidin-2-yl-piperazin-1-yl)-pro...) Show SMILES Nn1c(SCCCN2CCN(CC2)c2ncccn2)nc2sccc2c1=O Show InChI InChI=1S/C17H21N7OS2/c18-24-15(25)13-3-12-26-14(13)21-17(24)27-11-2-6-22-7-9-23(10-8-22)16-19-4-1-5-20-16/h1,3-5,12H,2,6-11,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	366	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50056362 (3-Amino-5,6-dimethyl-2-[3-(4-pyrimidin-2-yl-pipera...) Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C Show InChI InChI=1S/C19H25N7OS2/c1-13-14(2)29-16-15(13)17(27)26(20)19(23-16)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6H,4,7-12,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	434	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088694 (1-{3-[5-(2-Ethoxy-phenyl)-[1,3,4]thiadiazol-2-ylsu...) Show SMILES CCOc1ccccc1-c1nnc(SCCCN2CCN(CC2)c2ccccc2[N+]([O-])=O)s1 Show InChI InChI=1S/C23H27N5O3S2/c1-2-31-21-11-6-3-8-18(21)22-24-25-23(33-22)32-17-7-12-26-13-15-27(16-14-26)19-9-4-5-10-20(19)28(29)30/h3-6,8-11H,2,7,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088691 (3-Amino-6-ethyl-2-[3-(4-pyrimidin-2-yl-piperazin-1...) Show SMILES CCc1cc2c(nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c2=O)s1 Show InChI InChI=1S/C19H25N7OS2/c1-2-14-13-15-16(29-14)23-19(26(20)17(15)27)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6,13H,2,4,7-12,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes				Bioorg Med Chem Lett 10: 1089-92 (2000) BindingDB Entry DOI: 10.7270/Q25D8R2B
					More data for this Ligand-Target Pair