Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'greengrass' and Initial = 'cw'   

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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226814 (CHEMBL6424) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C24H29N5O3/c1-31-20-14-18-19(15-21(20)32-2)27-24(28-22(18)25)29-12-9-17(10-13-29)23(30)26-11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,26,30)(H2,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227290 (CHEMBL148457) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(O)c1ccccc1 Show InChI InChI=1S/C23H28N4O4/c1-29-20-12-17-18(13-21(20)30-2)25-23(26-22(17)24)27-10-8-16(9-11-27)31-14-19(28)15-6-4-3-5-7-15/h3-7,12-13,16,19,28H,8-11,14H2,1-2H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227298 (CHEMBL147255) Show SMILES CCOC(C)(COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1)c1ccccc1 Show InChI InChI=1S/C26H34N4O4/c1-5-34-26(2,18-9-7-6-8-10-18)17-33-19-11-13-30(14-12-19)25-28-21-16-23(32-4)22(31-3)15-20(21)24(27)29-25/h6-10,15-16,19H,5,11-14,17H2,1-4H3,(H2,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226844 (CHEMBL415288) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C24H29N5O3/c1-28(15-16-7-5-4-6-8-16)23(30)17-9-11-29(12-10-17)24-26-19-14-21(32-3)20(31-2)13-18(19)22(25)27-24/h4-8,13-14,17H,9-12,15H2,1-3H3,(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226846 (CHEMBL6474) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)26-23(27-21(17)24)28-10-8-16(9-11-28)22(29)25-14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,25,29)(H2,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226812 (CHEMBL266317) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCOc1ccccc1 Show InChI InChI=1S/C24H29N5O4/c1-31-20-14-18-19(15-21(20)32-2)27-24(28-22(18)25)29-11-8-16(9-12-29)23(30)26-10-13-33-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,26,30)(H2,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226839 (CHEMBL267457) Show SMILES CCCCNC(=O)CCC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C22H33N5O3/c1-4-5-10-24-20(28)7-6-15-8-11-27(12-9-15)22-25-17-14-19(30-3)18(29-2)13-16(17)21(23)26-22/h13-15H,4-12H2,1-3H3,(H,24,28)(H2,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226847 (CHEMBL6380) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C22H25N5O3/c1-29-18-12-16-17(13-19(18)30-2)25-22(26-20(16)23)27-10-8-14(9-11-27)21(28)24-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,24,28)(H2,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227287 (CHEMBL147393) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCCOc1ccccc1 Show InChI InChI=1S/C23H28N4O4/c1-28-20-14-18-19(15-21(20)29-2)25-23(26-22(18)24)27-10-8-17(9-11-27)31-13-12-30-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227289 (CHEMBL149047) Show SMILES CCOC(COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1)c1ccccc1 Show InChI InChI=1S/C25H32N4O4/c1-4-32-23(17-8-6-5-7-9-17)16-33-18-10-12-29(13-11-18)25-27-20-15-22(31-3)21(30-2)14-19(20)24(26)28-25/h5-9,14-15,18,23H,4,10-13,16H2,1-3H3,(H2,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227296 (CHEMBL150112) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)(O)c1ccccc1 Show InChI InChI=1S/C24H30N4O4/c1-24(29,16-7-5-4-6-8-16)15-32-17-9-11-28(12-10-17)23-26-19-14-21(31-3)20(30-2)13-18(19)22(25)27-23/h4-8,13-14,17,29H,9-12,15H2,1-3H3,(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226848 (CHEMBL6598) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NC1CCCC1 Show InChI InChI=1S/C21H29N5O3/c1-28-17-11-15-16(12-18(17)29-2)24-21(25-19(15)22)26-9-7-13(8-10-26)20(27)23-14-5-3-4-6-14/h11-14H,3-10H2,1-2H3,(H,23,27)(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226813 (CHEMBL6766) Show SMILES CCCNC(=O)CC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C20H29N5O3/c1-4-7-22-18(26)10-13-5-8-25(9-6-13)20-23-15-12-17(28-3)16(27-2)11-14(15)19(21)24-20/h11-13H,4-10H2,1-3H3,(H,22,26)(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227294 (CHEMBL149262) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCCOC(C)C Show InChI InChI=1S/C20H30N4O4/c1-13(2)27-9-10-28-14-5-7-24(8-6-14)20-22-16-12-18(26-4)17(25-3)11-15(16)19(21)23-20/h11-14H,5-10H2,1-4H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226853 (CHEMBL6556) Show SMILES CCCCNC(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C20H29N5O3/c1-4-5-8-22-19(26)13-6-9-25(10-7-13)20-23-15-12-17(28-3)16(27-2)11-14(15)18(21)24-20/h11-13H,4-10H2,1-3H3,(H,22,26)(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226842 (CHEMBL6481) Show SMILES CCCCNC(=O)COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C21H31N5O4/c1-4-5-8-23-19(27)13-30-14-6-9-26(10-7-14)21-24-16-12-18(29-3)17(28-2)11-15(16)20(22)25-21/h11-12,14H,4-10,13H2,1-3H3,(H,23,27)(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226838 (CHEMBL6447) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCC1CC1 Show InChI InChI=1S/C20H27N5O3/c1-27-16-9-14-15(10-17(16)28-2)23-20(24-18(14)21)25-7-5-13(6-8-25)19(26)22-11-12-3-4-12/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,26)(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227299 (CHEMBL149187) Show SMILES CCOC(C)COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C20H30N4O4/c1-5-27-13(2)12-28-14-6-8-24(9-7-14)20-22-16-11-18(26-4)17(25-3)10-15(16)19(21)23-20/h10-11,13-14H,5-9,12H2,1-4H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227291 (CHEMBL149828) Show SMILES CCCCOCCOC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C21H32N4O4/c1-4-5-10-28-11-12-29-15-6-8-25(9-7-15)21-23-17-14-19(27-3)18(26-2)13-16(17)20(22)24-21/h13-15H,4-12H2,1-3H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226845 (CHEMBL269537) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC(=O)NCC2CC2)CC1 Show InChI InChI=1S/C21H29N5O3/c1-28-17-10-15-16(11-18(17)29-2)24-21(25-20(15)22)26-7-5-13(6-8-26)9-19(27)23-12-14-3-4-14/h10-11,13-14H,3-9,12H2,1-2H3,(H,23,27)(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226854 (CHEMBL267705) Show SMILES CCN(CC)C(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C20H29N5O3/c1-5-24(6-2)19(26)13-7-9-25(10-8-13)20-22-15-12-17(28-4)16(27-3)11-14(15)18(21)23-20/h11-13H,5-10H2,1-4H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227295 (CHEMBL149997) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)(C)OC Show InChI InChI=1S/C20H30N4O4/c1-20(2,27-5)12-28-13-6-8-24(9-7-13)19-22-15-11-17(26-4)16(25-3)10-14(15)18(21)23-19/h10-11,13H,6-9,12H2,1-5H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226855 (CHEMBL6610) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H27N5O4/c1-27-16-11-14-15(12-17(16)28-2)22-20(23-18(14)21)25-5-3-13(4-6-25)19(26)24-7-9-29-10-8-24/h11-13H,3-10H2,1-2H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226852 (CHEMBL267164) Show SMILES COCCNC(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C19H27N5O4/c1-26-9-6-21-18(25)12-4-7-24(8-5-12)19-22-14-11-16(28-3)15(27-2)10-13(14)17(20)23-19/h10-12H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227301 (CHEMBL149481) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)(C)O Show InChI InChI=1S/C19H28N4O4/c1-19(2,24)11-27-12-5-7-23(8-6-12)18-21-14-10-16(26-4)15(25-3)9-13(14)17(20)22-18/h9-10,12,24H,5-8,11H2,1-4H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226840 (CHEMBL6789) Show SMILES CCCCNC(=O)CC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C21H31N5O3/c1-4-5-8-23-19(27)11-14-6-9-26(10-7-14)21-24-16-13-18(29-3)17(28-2)12-15(16)20(22)25-21/h12-14H,4-11H2,1-3H3,(H,23,27)(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227300 (CHEMBL146844) Show SMILES COC(C)COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C19H28N4O4/c1-12(24-2)11-27-13-5-7-23(8-6-13)19-21-15-10-17(26-4)16(25-3)9-14(15)18(20)22-19/h9-10,12-13H,5-8,11H2,1-4H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226841 (CHEMBL266927) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C16H21N5O3/c1-23-12-7-10-11(8-13(12)24-2)19-16(20-14(10)17)21-5-3-9(4-6-21)15(18)22/h7-9H,3-6H2,1-2H3,(H2,18,22)(H2,17,19,20)	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
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226843 (CHEMBL268627) Show SMILES CCNC(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C18H25N5O3/c1-4-20-17(24)11-5-7-23(8-6-11)18-21-13-10-15(26-3)14(25-2)9-12(13)16(19)22-18/h9-11H,4-8H2,1-3H3,(H,20,24)(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226850 (CHEMBL6431) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCO Show InChI InChI=1S/C18H25N5O4/c1-26-14-9-12-13(10-15(14)27-2)21-18(22-16(12)19)23-6-3-11(4-7-23)17(25)20-5-8-24/h9-11,24H,3-8H2,1-2H3,(H,20,25)(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227286 (CHEMBL149452) Show SMILES CCOCCOC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C19H28N4O4/c1-4-26-9-10-27-13-5-7-23(8-6-13)19-21-15-12-17(25-3)16(24-2)11-14(15)18(20)22-19/h11-13H,4-10H2,1-3H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227288 (CHEMBL150919) Show SMILES COCCOC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C18H26N4O4/c1-23-8-9-26-12-4-6-22(7-5-12)18-20-14-11-16(25-3)15(24-2)10-13(14)17(19)21-18/h10-12H,4-9H2,1-3H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227293 (CHEMBL150239) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCCO Show InChI InChI=1S/C17H24N4O4/c1-23-14-9-12-13(10-15(14)24-2)19-17(20-16(12)18)21-5-3-11(4-6-21)25-8-7-22/h9-11,22H,3-8H2,1-2H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227292 (CHEMBL149253) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)O Show InChI InChI=1S/C18H26N4O4/c1-11(23)10-26-12-4-6-22(7-5-12)18-20-14-9-16(25-3)15(24-2)8-13(14)17(19)21-18/h8-9,11-12,23H,4-7,10H2,1-3H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226849 (CHEMBL266279) Show SMILES CCCCNC(=O)C1CCCN(C1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C20H29N5O3/c1-4-5-8-22-19(26)13-7-6-9-25(12-13)20-23-15-11-17(28-3)16(27-2)10-14(15)18(21)24-20/h10-11,13H,4-9,12H2,1-3H3,(H,22,26)(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227297 (CHEMBL147019) Show SMILES CCOCC(OC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1)c1ccccc1 Show InChI InChI=1S/C25H32N4O4/c1-4-32-16-23(17-8-6-5-7-9-17)33-18-10-12-29(13-11-18)25-27-20-15-22(31-3)21(30-2)14-19(20)24(26)28-25/h5-9,14-15,18,23H,4,10-13,16H2,1-3H3,(H2,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					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))	BDBM50226845 (CHEMBL269537) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC(=O)NCC2CC2)CC1 Show InChI InChI=1S/C21H29N5O3/c1-28-17-10-15-16(11-18(17)29-2)24-21(25-20(15)22)26-7-5-13(6-8-26)9-19(27)23-12-14-3-4-14/h10-11,13-14H,3-9,12H2,1-2H3,(H,23,27)(H2,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					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))	BDBM50226840 (CHEMBL6789) Show SMILES CCCCNC(=O)CC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C21H31N5O3/c1-4-5-8-23-19(27)11-14-6-9-26(10-7-14)21-24-16-13-18(29-3)17(28-2)12-15(16)20(22)25-21/h12-14H,4-11H2,1-3H3,(H,23,27)(H2,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					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))	BDBM50226813 (CHEMBL6766) Show SMILES CCCNC(=O)CC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C20H29N5O3/c1-4-7-22-18(26)10-13-5-8-25(9-6-13)20-23-15-12-17(28-3)16(27-2)11-14(15)19(21)24-20/h11-13H,4-10H2,1-3H3,(H,22,26)(H2,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					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))	BDBM50226812 (CHEMBL266317) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCOc1ccccc1 Show InChI InChI=1S/C24H29N5O4/c1-31-20-14-18-19(15-21(20)32-2)27-24(28-22(18)25)29-11-8-16(9-12-29)23(30)26-10-13-33-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,26,30)(H2,25,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					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))	BDBM50226841 (CHEMBL266927) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C16H21N5O3/c1-23-12-7-10-11(8-13(12)24-2)19-16(20-14(10)17)21-5-3-9(4-6-21)15(18)22/h7-9H,3-6H2,1-2H3,(H2,18,22)(H2,17,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					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))	BDBM50226842 (CHEMBL6481) Show SMILES CCCCNC(=O)COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C21H31N5O4/c1-4-5-8-23-19(27)13-30-14-6-9-26(10-7-14)21-24-16-12-18(29-3)17(28-2)11-15(16)20(22)25-21/h11-12,14H,4-10,13H2,1-3H3,(H,23,27)(H2,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					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))	BDBM50226814 (CHEMBL6424) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C24H29N5O3/c1-31-20-14-18-19(15-21(20)32-2)27-24(28-22(18)25)29-12-9-17(10-13-29)23(30)26-11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,26,30)(H2,25,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					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))	BDBM50226853 (CHEMBL6556) Show SMILES CCCCNC(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C20H29N5O3/c1-4-5-8-22-19(26)13-6-9-25(10-7-13)20-23-15-12-17(28-3)16(27-2)11-14(15)18(21)24-20/h11-13H,4-10H2,1-3H3,(H,22,26)(H2,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					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))	BDBM50226839 (CHEMBL267457) Show SMILES CCCCNC(=O)CCC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C22H33N5O3/c1-4-5-10-24-20(28)7-6-15-8-11-27(12-9-15)22-25-17-14-19(30-3)18(29-2)13-16(17)21(23)26-22/h13-15H,4-12H2,1-3H3,(H,24,28)(H2,23,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					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))	BDBM50226844 (CHEMBL415288) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C24H29N5O3/c1-28(15-16-7-5-4-6-8-16)23(30)17-9-11-29(12-10-17)24-26-19-14-21(32-3)20(31-2)13-18(19)22(25)27-24/h4-8,13-14,17H,9-12,15H2,1-3H3,(H2,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					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))	BDBM50226846 (CHEMBL6474) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)26-23(27-21(17)24)28-10-8-16(9-11-28)22(29)25-14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,25,29)(H2,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226851 (CHEMBL6831) Show SMILES CCN(CC)C(=O)C1CCCN(C1)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C20H29N5O3/c1-5-24(6-2)19(26)13-8-7-9-25(12-13)20-22-15-11-17(28-4)16(27-3)10-14(15)18(21)23-20/h10-11,13H,5-9,12H2,1-4H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair

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