Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'ceg?a' and Initial = 'm'   

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))	BDBM50489337 (CHEMBL2311754) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cccc3c2oc2ccccc2c3=O)CC1 Show InChI InChI=1S/C27H28N2O4/c1-31-24-12-5-3-10-22(24)29-17-15-28(16-18-29)14-7-19-32-25-13-6-9-21-26(30)20-8-2-4-11-23(20)33-27(21)25/h2-6,8-13H,7,14-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50489334 (CHEMBL2311758) Show SMILES Cl.COc1ccccc1N1CCN(CC(O)COc2cccc3c2oc2ccccc2c3=O)CC1 Show InChI InChI=1S/C27H28N2O5.ClH/c1-32-24-11-5-3-9-22(24)29-15-13-28(14-16-29)17-19(30)18-33-25-12-6-8-21-26(31)20-7-2-4-10-23(20)34-27(21)25;/h2-12,19,30H,13-18H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50489330 (CHEMBL2311753) Show SMILES Cl.COc1ccccc1N1CCN(CC(COc2cccc3c2oc2ccccc2c3=O)OC(C)=O)CC1 Show InChI InChI=1S/C29H30N2O6.ClH/c1-20(32)36-21(18-30-14-16-31(17-15-30)24-10-4-6-12-26(24)34-2)19-35-27-13-7-9-23-28(33)22-8-3-5-11-25(22)37-29(23)27;/h3-13,21H,14-19H2,1-2H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50489329 (CHEMBL2311756) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1 Show InChI InChI=1S/C27H27ClN2O4/c1-32-23-8-3-2-7-22(23)30-15-13-29(14-16-30)12-5-17-33-24-9-4-6-21-26(31)20-11-10-19(28)18-25(20)34-27(21)24/h2-4,6-11,18H,5,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					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))	BDBM50489331 (CHEMBL3215906) Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCN(CCOc2ccccc2)CC1 Show InChI InChI=1S/C28H29ClN2O5.3ClH/c29-20-9-10-23-26(17-20)36-28-24(27(23)33)7-4-8-25(28)35-19-21(32)18-31-13-11-30(12-14-31)15-16-34-22-5-2-1-3-6-22;;;/h1-10,17,21,32H,11-16,18-19H2;3*1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50489331 (CHEMBL3215906) Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCN(CCOc2ccccc2)CC1 Show InChI InChI=1S/C28H29ClN2O5.3ClH/c29-20-9-10-23-26(17-20)36-28-24(27(23)33)7-4-8-25(28)35-19-21(32)18-31-13-11-30(12-14-31)15-16-34-22-5-2-1-3-6-22;;;/h1-10,17,21,32H,11-16,18-19H2;3*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	506	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50489335 (CHEMBL3216577) Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCNCC1Cc1ccccc1 Show InChI InChI=1S/C27H27ClN2O4.3ClH/c28-19-9-10-22-25(14-19)34-27-23(26(22)32)7-4-8-24(27)33-17-21(31)16-30-12-11-29-15-20(30)13-18-5-2-1-3-6-18;;;/h1-10,14,20-21,29,31H,11-13,15-17H2;3*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	614	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					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))	BDBM50489332 (CHEMBL3217231) Show SMILES Cl.Cl.OC(COc1cccc2c1oc1ccccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1 Show InChI InChI=1S/C29H30N2O4.2ClH/c32-23(20-31-18-16-30(17-19-31)15-7-10-22-8-2-1-3-9-22)21-34-27-14-6-12-25-28(33)24-11-4-5-13-26(24)35-29(25)27;;/h1-14,23,32H,15-21H2;2*1H/b10-7+;;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	634	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50489332 (CHEMBL3217231) Show SMILES Cl.Cl.OC(COc1cccc2c1oc1ccccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1 Show InChI InChI=1S/C29H30N2O4.2ClH/c32-23(20-31-18-16-30(17-19-31)15-7-10-22-8-2-1-3-9-22)21-34-27-14-6-12-25-28(33)24-11-4-5-13-26(24)35-29(25)27;;/h1-14,23,32H,15-21H2;2*1H/b10-7+;;	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	677	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					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))	BDBM50489337 (CHEMBL2311754) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cccc3c2oc2ccccc2c3=O)CC1 Show InChI InChI=1S/C27H28N2O4/c1-31-24-12-5-3-10-22(24)29-17-15-28(16-18-29)14-7-19-32-25-13-6-9-21-26(30)20-8-2-4-11-23(20)33-27(21)25/h2-6,8-13H,7,14-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	695	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50489336 (CHEMBL3216576) Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1 Show InChI InChI=1S/C29H29ClN2O4.3ClH/c30-22-11-12-24-27(18-22)36-29-25(28(24)34)9-4-10-26(29)35-20-23(33)19-32-16-14-31(15-17-32)13-5-8-21-6-2-1-3-7-21;;;/h1-12,18,23,33H,13-17,19-20H2;3*1H/b8-5+;;;	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50489333 (CHEMBL2311755) Show SMILES Cl.COc1ccc(cc1)N1CCN(CCCOc2cccc3c2oc2ccccc2c3=O)CC1 Show InChI InChI=1S/C27H28N2O4/c1-31-21-12-10-20(11-13-21)29-17-15-28(16-18-29)14-5-19-32-25-9-4-7-23-26(30)22-6-2-3-8-24(22)33-27(23)25/h2-4,6-13H,5,14-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					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))	BDBM50489330 (CHEMBL2311753) Show SMILES Cl.COc1ccccc1N1CCN(CC(COc2cccc3c2oc2ccccc2c3=O)OC(C)=O)CC1 Show InChI InChI=1S/C29H30N2O6.ClH/c1-20(32)36-21(18-30-14-16-31(17-15-30)24-10-4-6-12-26(24)34-2)19-35-27-13-7-9-23-28(33)22-8-3-5-11-25(22)37-29(23)27;/h3-13,21H,14-19H2,1-2H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					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))	BDBM50489336 (CHEMBL3216576) Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1 Show InChI InChI=1S/C29H29ClN2O4.3ClH/c30-22-11-12-24-27(18-22)36-29-25(28(24)34)9-4-10-26(29)35-20-23(33)19-32-16-14-31(15-17-32)13-5-8-21-6-2-1-3-7-21;;;/h1-12,18,23,33H,13-17,19-20H2;3*1H/b8-5+;;;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					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))	BDBM50489334 (CHEMBL2311758) Show SMILES Cl.COc1ccccc1N1CCN(CC(O)COc2cccc3c2oc2ccccc2c3=O)CC1 Show InChI InChI=1S/C27H28N2O5.ClH/c1-32-24-11-5-3-9-22(24)29-15-13-28(14-16-29)17-19(30)18-33-25-12-6-8-21-26(31)20-7-2-4-10-23(20)34-27(21)25;/h2-12,19,30H,13-18H2,1H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					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))	BDBM50489329 (CHEMBL2311756) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1 Show InChI InChI=1S/C27H27ClN2O4/c1-32-23-8-3-2-7-22(23)30-15-13-29(14-16-30)12-5-17-33-24-9-4-6-21-26(31)20-11-10-19(28)18-25(20)34-27(21)24/h2-4,6-11,18H,5,12-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					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))	BDBM50489335 (CHEMBL3216577) Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCNCC1Cc1ccccc1 Show InChI InChI=1S/C27H27ClN2O4.3ClH/c28-19-9-10-22-25(14-19)34-27-23(26(22)32)7-4-8-24(27)33-17-21(31)16-30-12-11-29-15-20(30)13-18-5-2-1-3-6-18;;;/h1-10,14,20-21,29,31H,11-13,15-17H2;3*1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair