Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50005703   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040072 (4-Chloro-benzene-1,3-disulfonic acid 3-amide 1-({2...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)NCCNCC(O)COc1cccc2NC(=O)CCc12 Show InChI InChI=1S/C20H25ClN4O7S2/c21-16-6-4-14(10-19(16)33(22,28)29)34(30,31)24-9-8-23-11-13(26)12-32-18-3-1-2-17-15(18)5-7-20(27)25-17/h1-4,6,10,13,23-24,26H,5,7-9,11-12H2,(H,25,27)(H2,22,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040065 (5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihyd...) Show SMILES CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 Show InChI InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040076 (4-Chloro-benzene-1,3-disulfonic acid 3-amide 1-({2...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)NCCNCC(O)COc1cccc2NC(=O)CSc12 Show InChI InChI=1S/C19H23ClN4O7S3/c20-14-5-4-13(8-17(14)33(21,27)28)34(29,30)23-7-6-22-9-12(25)10-31-16-3-1-2-15-19(16)32-11-18(26)24-15/h1-5,8,12,22-23,25H,6-7,9-11H2,(H,24,26)(H2,21,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040073 (4-Chloro-N-{2-[2-hydroxy-3-(3-oxo-3,4-dihydro-2H-b...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCNCC(O)COc1cccc2NC(=O)CSc12 Show InChI InChI=1S/C20H23ClN4O6S2/c21-14-5-4-12(8-17(14)33(22,29)30)20(28)24-7-6-23-9-13(26)10-31-16-3-1-2-15-19(16)32-11-18(27)25-15/h1-5,8,13,23,26H,6-7,9-11H2,(H,24,28)(H,25,27)(H2,22,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040069 (2-Chloro-5-{2-[2-hydroxy-3-(3-oxo-3,4-dihydro-2H-b...) Show SMILES NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3NC(=O)CSc23)ccc1Cl Show InChI InChI=1S/C19H23ClN4O5S2/c20-14-5-4-12(8-17(14)31(21,27)28)23-7-6-22-9-13(25)10-29-16-3-1-2-15-19(16)30-11-18(26)24-15/h1-5,8,13,22-23,25H,6-7,9-11H2,(H,24,26)(H2,21,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040074 (2-Chloro-5-{2-[2-hydroxy-3-(naphthalen-1-yloxy)-pr...) Show SMILES NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3ccccc23)ccc1Cl Show InChI InChI=1S/C21H24ClN3O4S/c22-19-9-8-16(12-21(19)30(23,27)28)25-11-10-24-13-17(26)14-29-20-7-3-5-15-4-1-2-6-18(15)20/h1-9,12,17,24-26H,10-11,13-14H2,(H2,23,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040070 (8-tert-Butylamino-2-(3-hydroxy-propoxy)-4H-benzo[1...) Show SMILES CC(C)(C)Nc1cccc2NC(=O)C(OCCCO)Sc12 Show InChI InChI=1S/C15H22N2O3S/c1-15(2,3)17-11-7-4-6-10-12(11)21-14(13(19)16-10)20-9-5-8-18/h4,6-7,14,17-18H,5,8-9H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040071 (2-Chloro-5-{4-[2-hydroxy-3-(naphthalen-1-yloxy)-pr...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)N1CCN(CC(O)COc2cccc3ccccc23)CC1 Show InChI InChI=1S/C23H26ClN3O4S/c24-21-9-8-18(14-23(21)32(25,29)30)27-12-10-26(11-13-27)15-19(28)16-31-22-7-3-5-17-4-1-2-6-20(17)22/h1-9,14,19,28H,10-13,15-16H2,(H2,25,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040066 (2-Chloro-5-{4-[2-hydroxy-3-(3-oxo-3,4-dihydro-2H-b...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1 Show InChI InChI=1S/C21H25ClN4O5S2/c22-16-5-4-14(10-19(16)33(23,29)30)26-8-6-25(7-9-26)11-15(27)12-31-18-3-1-2-17-21(18)32-13-20(28)24-17/h1-5,10,15,27H,6-9,11-13H2,(H,24,28)(H2,23,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040068 (4-Chloro-benzene-1,3-disulfonic acid 3-amide 1-({2...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)NCCNCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C21H24ClN3O6S2/c22-19-9-8-17(12-21(19)32(23,27)28)33(29,30)25-11-10-24-13-16(26)14-31-20-7-3-5-15-4-1-2-6-18(15)20/h1-9,12,16,24-26H,10-11,13-14H2,(H2,23,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040075 (4-Chloro-N-{2-[2-hydroxy-3-(2-oxo-1,2,3,4-tetrahyd...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCNCC(O)COc1cccc2NC(=O)CCc12 Show InChI InChI=1S/C21H25ClN4O6S/c22-16-6-4-13(10-19(16)33(23,30)31)21(29)25-9-8-24-11-14(27)12-32-18-3-1-2-17-15(18)5-7-20(28)26-17/h1-4,6,10,14,24,27H,5,7-9,11-12H2,(H,25,29)(H,26,28)(H2,23,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040067 (4-Chloro-N-{2-[2-hydroxy-3-(naphthalen-1-yloxy)-pr...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCNCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C22H24ClN3O5S/c23-19-9-8-16(12-21(19)32(24,29)30)22(28)26-11-10-25-13-17(27)14-31-20-7-3-5-15-4-1-2-6-18(15)20/h1-9,12,17,25,27H,10-11,13-14H2,(H,26,28)(H2,24,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair