Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'hebel' and Initial = 'd'   

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 (Rattus norvegicus (Rat))	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007476 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50279966 (Azidothymidine difluoromethylenephosphonate deriva...) Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(COP([O-])(=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H16F2N5O12P3/c1-5-3-18(10(20)15-9(5)19)8-2-6(16-17-14)7(29-8)4-28-33(26,27)30-32(24,25)11(12,13)31(21,22)23/h3,6-8H,2,4H2,1H3,(H,24,25)(H,26,27)(H,15,19,20)(H2,21,22,23)/p-4	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined in an HIV-1 reverse transcriptase assay in which the [3H]dTTP concentration was varied (i.e. 40, 20, 10, 6, and 4 ...				Bioorg Med Chem Lett 1: 357-360 (1991) Article DOI: 10.1016/S0960-894X(01)80472-8 BindingDB Entry DOI: 10.7270/Q2PV6KVZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007478 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-5-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-12-5-11(18)10(17)4-9(12)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50370476 (Combivir | ZIDOVUDINE TRIPHOSPHATE) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration that causes 50 % inhibition of HIV-1 peptide-derived reverse transcriptase (RT) obtained from HIV-1-infected H9 cell cultures				Bioorg Med Chem Lett 1: 357-360 (1991) Article DOI: 10.1016/S0960-894X(01)80472-8 BindingDB Entry DOI: 10.7270/Q2PV6KVZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50279966 (Azidothymidine difluoromethylenephosphonate deriva...) Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(COP([O-])(=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H16F2N5O12P3/c1-5-3-18(10(20)15-9(5)19)8-2-6(16-17-14)7(29-8)4-28-33(26,27)30-32(24,25)11(12,13)31(21,22)23/h3,6-8H,2,4H2,1H3,(H,24,25)(H,26,27)(H,15,19,20)(H2,21,22,23)/p-4	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration that causes 50 % inhibition of HIV-1 peptide-derived reverse transcriptase (RT)				Bioorg Med Chem Lett 1: 357-360 (1991) Article DOI: 10.1016/S0960-894X(01)80472-8 BindingDB Entry DOI: 10.7270/Q2PV6KVZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50279965 (Azidothymidine difluoromethylenephosphonate deriva...) Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(COP([O-])(=O)OP([O-])(=O)CP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H18N5O12P3/c1-6-3-16(11(18)13-10(6)17)9-2-7(14-15-12)8(27-9)4-26-31(24,25)28-30(22,23)5-29(19,20)21/h3,7-9H,2,4-5H2,1H3,(H,22,23)(H,24,25)(H,13,17,18)(H2,19,20,21)/p-4	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	6.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration that causes 50 % inhibition of HIV-1 peptide-derived reverse transcriptase (RT)				Bioorg Med Chem Lett 1: 357-360 (1991) Article DOI: 10.1016/S0960-894X(01)80472-8 BindingDB Entry DOI: 10.7270/Q2PV6KVZ
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Beta adrenergic receptor agonistic activity for the stimulation of accumulation of cyclic AMP in cultured C6 glioma cells				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007476 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.20	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Beta adrenergic receptor agonistic activity for the stimulation of accumulation of cyclic AMP in cultured C6 glioma cells				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPase				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta2- adrenergic) for the percent maximal relaxation of isolated guinea pig trachea				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta-1 adrenergic receptor) for the percent maximal increase in contraction rate of isolated guinea pig atria				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50007476 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta2- adrenergic) for the percent maximal relaxation of isolated guinea pig trachea				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta2- adrenergic) for the percent maximal relaxation of isolated guinea pig trachea				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta-1 adrenergic receptor) for the percent maximal increase in contraction rate of isolated guinea pig atria				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50007476 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta-1 adrenergic receptor) for the percent maximal increase in contraction rate of isolated guinea pig atria				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50007478 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-5-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-12-5-11(18)10(17)4-9(12)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	175	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta-1 adrenergic receptor) for the percent maximal increase in contraction rate of isolated guinea pig atria				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair