Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50047619   

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-2A adrenergic receptor (Homo sapiens (Human))	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50085683 ((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...) Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179393 (Efaroxan) Show SMILES CCC1(Cc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C13H16N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-6H,2,7-9H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50016897 (2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...) Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50029050 ((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...) Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50070328 (CHEBI:8862 | Rilmenidine) Show SMILES C1CC1C(NC1=NCCO1)C1CC1 |t:6| Show InChI InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179391 (CHEMBL3593723) Show SMILES CN1CCCCC1CCn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C20H24N2/c1-21-14-7-6-8-16(21)13-15-22-19-11-4-2-9-17(19)18-10-3-5-12-20(18)22/h2-5,9-12,16H,6-8,13-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179392 (CHEMBL3593725) Show SMILES CN1CCCCC1CCn1cnc2ccccc12 Show InChI InChI=1S/C15H21N3/c1-17-10-5-4-6-13(17)9-11-18-12-16-14-7-2-3-8-15(14)18/h2-3,7-8,12-13H,4-6,9-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179387 (CHEMBL3814276) Show SMILES CC(C)CCn1c(C)cc(NCc2ccccc2)cc1=O Show InChI InChI=1S/C18H24N2O/c1-14(2)9-10-20-15(3)11-17(12-18(20)21)19-13-16-7-5-4-6-8-16/h4-8,11-12,14,19H,9-10,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179384 (CHEMBL3814220) Show SMILES CCCCCn1c(C)cc(NCc2ccccc2)cc1=O Show InChI InChI=1S/C18H24N2O/c1-3-4-8-11-20-15(2)12-17(13-18(20)21)19-14-16-9-6-5-7-10-16/h5-7,9-10,12-13,19H,3-4,8,11,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179386 (CHEMBL3814626) Show SMILES CC(C)CCNc1cc(C)n(CCC(C)C)c(=O)c1 Show InChI InChI=1S/C16H28N2O/c1-12(2)6-8-17-15-10-14(5)18(16(19)11-15)9-7-13(3)4/h10-13,17H,6-9H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179382 (CHEMBL3814535) Show SMILES CC(C)Cn1c(C)cc(NCc2ccc(cc2)C(F)(F)F)cc1=O Show InChI InChI=1S/C18H21F3N2O/c1-12(2)11-23-13(3)8-16(9-17(23)24)22-10-14-4-6-15(7-5-14)18(19,20)21/h4-9,12,22H,10-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179383 (CHEMBL3814593) Show SMILES CCCCCNc1cc(C)n(CCCCC)c(=O)c1 Show InChI InChI=1S/C16H28N2O/c1-4-6-8-10-17-15-12-14(3)18(16(19)13-15)11-9-7-5-2/h12-13,17H,4-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179385 (CHEMBL3814521) Show SMILES CCCCCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O Show InChI InChI=1S/C18H23ClN2O/c1-3-4-5-10-21-14(2)11-17(12-18(21)22)20-13-15-6-8-16(19)9-7-15/h6-9,11-12,20H,3-5,10,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179388 (CHEMBL3814259) Show SMILES CC(C)CCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O Show InChI InChI=1S/C18H23ClN2O/c1-13(2)8-9-21-14(3)10-17(11-18(21)22)20-12-15-4-6-16(19)7-5-15/h4-7,10-11,13,20H,8-9,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179389 (CHEMBL3813724) Show SMILES CCCCCNc1cc(C)n(Cc2ccccc2)c(=O)c1 Show InChI InChI=1S/C18H24N2O/c1-3-4-8-11-19-17-12-15(2)20(18(21)13-17)14-16-9-6-5-7-10-16/h5-7,9-10,12-13,19H,3-4,8,11,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50179390 (CHEMBL3815157) Show SMILES CC(C)CCNc1cc(C)n(Cc2ccccc2)c(=O)c1 Show InChI InChI=1S/C18H24N2O/c1-14(2)9-10-19-17-11-15(3)20(18(21)12-17)13-16-7-5-4-6-8-16/h4-8,11-12,14,19H,9-10,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair