Compile Data Set for Download or QSAR

Found 351 hits with Last Name = 'largis' and Initial = 'e'   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098668 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-1,3-dihydr...) Show SMILES CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098668 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-1,3-dihydr...) Show SMILES CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50099151 (CHEMBL177442 | N'-[5-(4-{4-[(S)-2-Hydroxy-3-(2-oxo...) Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 |w:12.13,t:6| Show InChI InChI=1S/C28H34N8O4S/c1-35(2)26(29)34-28-33-25(38)23(41-28)14-17-6-8-19(9-7-17)36-12-10-18(11-13-36)30-15-20(37)16-40-22-5-3-4-21-24(22)32-27(39)31-21/h3-9,14,18,20,30,37H,10-13,15-16H2,1-2H3,(H2,31,32,39)(H2,29,33,34,38)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50099151 (CHEMBL177442 | N'-[5-(4-{4-[(S)-2-Hydroxy-3-(2-oxo...) Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 |w:12.13,t:6| Show InChI InChI=1S/C28H34N8O4S/c1-35(2)26(29)34-28-33-25(38)23(41-28)14-17-6-8-19(9-7-17)36-12-10-18(11-13-36)30-15-20(37)16-40-22-5-3-4-21-24(22)32-27(39)31-21/h3-9,14,18,20,30,37H,10-13,15-16H2,1-2H3,(H2,31,32,39)(H2,29,33,34,38)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of 125 I-Iodocyanopindolol binding to Beta-2 adrenergic receptor				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50119202 (CHEMBL99599 | Nonanoic acid [4-(4-{[2-hydroxy-2-(4...) Show SMILES CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C30H46N4O7S2/c1-3-4-5-6-7-8-9-30(37)32-25-11-13-26(14-12-25)43(40,41)34-18-16-23(17-19-34)21-31-22-29(36)24-10-15-28(35)27(20-24)33-42(2,38)39/h10-15,20,23,29,31,33,35-36H,3-9,16-19,21-22H2,1-2H3,(H,32,37)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity of compound against Beta-2 adrenergic receptor was determined				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070156 ((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50119195 (CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C31H36N4O8S2/c1-44(40,41)33-27-16-22(6-11-29(27)36)30(37)19-32-18-21-12-14-34(15-13-21)45(42,43)25-9-7-24(8-10-25)35-20-23(17-31(38)39)26-4-2-3-5-28(26)35/h2-11,16,20-21,30,32-33,36-37H,12-15,17-19H2,1H3,(H,38,39)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity of compound against Beta-2 adrenergic receptor was determined				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50119195 (CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C31H36N4O8S2/c1-44(40,41)33-27-16-22(6-11-29(27)36)30(37)19-32-18-21-12-14-34(15-13-21)45(42,43)25-9-7-24(8-10-25)35-20-23(17-31(38)39)26-4-2-3-5-28(26)35/h2-11,16,20-21,30,32-33,36-37H,12-15,17-19H2,1H3,(H,38,39)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity of compound against Beta-1 adrenergic receptor was determined				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098662 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C30H36N4O7S/c1-42(40,41)33-25-18-22(9-12-27(25)35)28(36)19-31-23-13-15-34(16-14-23)24-10-7-21(8-11-24)29(37)32-26(30(38)39)17-20-5-3-2-4-6-20/h2-12,18,23,26,28,31,33,35-36H,13-17,19H2,1H3,(H,32,37)(H,38,39)/t26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070156 ((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50099160 (CHEMBL354906 | [5-(4-{4-[(R)-2-Hydroxy-2-(4-hydrox...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cc2sc(=O)n(CC(O)=O)c2O)cc1 Show InChI InChI=1S/C26H32N4O8S2/c1-40(37,38)28-20-13-17(4-7-21(20)31)22(32)14-27-18-8-10-29(11-9-18)19-5-2-16(3-6-19)12-23-25(35)30(15-24(33)34)26(36)39-23/h2-7,13,18,22,27-28,31-32,35H,8-12,14-15H2,1H3,(H,33,34)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of 125 I-Iodocyanopindolol binding to Beta-2 adrenergic receptor				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098659 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C27H38N4O7S/c1-17(2)14-23(27(35)36)29-26(34)18-4-7-21(8-5-18)31-12-10-20(11-13-31)28-16-25(33)19-6-9-24(32)22(15-19)30-39(3,37)38/h4-9,15,17,20,23,25,28,30,32-33H,10-14,16H2,1-3H3,(H,29,34)(H,35,36)/t23-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098661 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C26H36N4O7S/c1-16(2)24(26(34)35)28-25(33)17-4-7-20(8-5-17)30-12-10-19(11-13-30)27-15-23(32)18-6-9-22(31)21(14-18)29-38(3,36)37/h4-9,14,16,19,23-24,27,29,31-32H,10-13,15H2,1-3H3,(H,28,33)(H,34,35)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50119202 (CHEMBL99599 | Nonanoic acid [4-(4-{[2-hydroxy-2-(4...) Show SMILES CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C30H46N4O7S2/c1-3-4-5-6-7-8-9-30(37)32-25-11-13-26(14-12-25)43(40,41)34-18-16-23(17-19-34)21-31-22-29(36)24-10-15-28(35)27(20-24)33-42(2,38)39/h10-15,20,23,29,31,33,35-36H,3-9,16-19,21-22H2,1-2H3,(H,32,37)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity of compound against Beta-1 adrenergic receptor was determined				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50099160 (CHEMBL354906 | [5-(4-{4-[(R)-2-Hydroxy-2-(4-hydrox...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cc2sc(=O)n(CC(O)=O)c2O)cc1 Show InChI InChI=1S/C26H32N4O8S2/c1-40(37,38)28-20-13-17(4-7-21(20)31)22(32)14-27-18-8-10-29(11-9-18)19-5-2-16(3-6-19)12-23-25(35)30(15-24(33)34)26(36)39-23/h2-7,13,18,22,27-28,31-32,35H,8-12,14-15H2,1H3,(H,33,34)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50099150 (CHEMBL368584 | N-[5-(2-{1-[4-((R)-3,5-Dioxo-[1,2,4...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cn2oc(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C23H29N5O7S/c1-36(33,34)26-19-12-16(4-7-20(19)29)21(30)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)14-28-22(31)25-23(32)35-28/h2-7,12,17,21,24,26,29-30H,8-11,13-14H2,1H3,(H,25,31,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	9.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098654 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-16(4-7-20(19)28)21(29)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)23(32)25-14-22(30)31/h2-7,12,17,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,32)(H,30,31)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50099150 (CHEMBL368584 | N-[5-(2-{1-[4-((R)-3,5-Dioxo-[1,2,4...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cn2oc(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C23H29N5O7S/c1-36(33,34)26-19-12-16(4-7-20(19)29)21(30)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)14-28-22(31)25-23(32)35-28/h2-7,12,17,21,24,26,29-30H,8-11,13-14H2,1H3,(H,25,31,32)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of 125 I-Iodocyanopindolol binding to Beta-2 adrenergic receptor				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50002134 (5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...) Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098659 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C27H38N4O7S/c1-17(2)14-23(27(35)36)29-26(34)18-4-7-21(8-5-18)31-12-10-20(11-13-31)28-16-25(33)19-6-9-24(32)22(15-19)30-39(3,37)38/h4-9,15,17,20,23,25,28,30,32-33H,10-14,16H2,1-3H3,(H,29,34)(H,35,36)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098654 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-16(4-7-20(19)28)21(29)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)23(32)25-14-22(30)31/h2-7,12,17,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,32)(H,30,31)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098662 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C30H36N4O7S/c1-42(40,41)33-25-18-22(9-12-27(25)35)28(36)19-31-23-13-15-34(16-14-23)24-10-7-21(8-11-24)29(37)32-26(30(38)39)17-20-5-3-2-4-6-20/h2-12,18,23,26,28,31,33,35-36H,13-17,19H2,1H3,(H,32,37)(H,38,39)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098661 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C26H36N4O7S/c1-16(2)24(26(34)35)28-25(33)17-4-7-20(8-5-17)30-12-10-19(11-13-30)27-15-23(32)18-6-9-22(31)21(14-18)29-38(3,36)37/h4-9,14,16,19,23-24,27,29,31-32H,10-13,15H2,1-3H3,(H,28,33)(H,34,35)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50002134 (5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...) Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098658 (CHEMBL418600 | N-Butyl-N-(4-{4-[2-hydroxy-2-(4-hyd...) Show SMILES CCCCN(C(=O)CC(O)=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H38N4O7S/c1-3-4-13-31(26(34)17-27(35)36)22-8-6-21(7-9-22)30-14-11-20(12-15-30)28-18-25(33)19-5-10-24(32)23(16-19)29-39(2,37)38/h5-10,16,20,25,28-29,32-33H,3-4,11-15,17-18H2,1-2H3,(H,35,36)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098658 (CHEMBL418600 | N-Butyl-N-(4-{4-[2-hydroxy-2-(4-hyd...) Show SMILES CCCCN(C(=O)CC(O)=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H38N4O7S/c1-3-4-13-31(26(34)17-27(35)36)22-8-6-21(7-9-22)30-14-11-20(12-15-30)28-18-25(33)19-5-10-24(32)23(16-19)29-39(2,37)38/h5-10,16,20,25,28-29,32-33H,3-4,11-15,17-18H2,1-2H3,(H,35,36)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50119183 (1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...) Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1 Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Compound was tested for the antagonistic activity against Beta-2 adrenergic receptor				Bioorg Med Chem Lett 12: 2957-61 (2002) BindingDB Entry DOI: 10.7270/Q2HT2NP4
					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	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...				J Med Chem 35: 3081-4 (1992) BindingDB Entry DOI: 10.7270/Q2PR7TWN
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50119183 (1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...) Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1 Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Compound was tested for the antagonistic activity against Beta-1 adrenergic receptor				Bioorg Med Chem Lett 12: 2957-61 (2002) BindingDB Entry DOI: 10.7270/Q2HT2NP4
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50002132 ((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...) Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards Beta-2 adrenergic receptor in rat soleus membrane by displacing (-)-isoproterenol (50 microM)				J Med Chem 35: 3081-4 (1992) BindingDB Entry DOI: 10.7270/Q2PR7TWN
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50002132 ((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...) Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol				J Med Chem 35: 3081-4 (1992) BindingDB Entry DOI: 10.7270/Q2PR7TWN
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50022279 (3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...) Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of smooth muscle cell ACAT activity for cells stimulated by cationized LDL.				J Med Chem 29: 1131-3 (1987) BindingDB Entry DOI: 10.7270/Q2V69HKP
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50227933 (CHEMBL77761) Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1cc(C)c(C)cc1C Show InChI InChI=1S/C22H32N2O2/c1-5-6-7-8-9-12-24(16-20-11-10-13-26-20)22(25)23-21-15-18(3)17(2)14-19(21)4/h10-11,13-15H,5-9,12,16H2,1-4H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Muscarinic acetylcholine receptor derived from smooth muscle cells from thoracic aorta of monkeys				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50002133 ((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...) Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...				J Med Chem 35: 3081-4 (1992) BindingDB Entry DOI: 10.7270/Q2PR7TWN
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50119187 (CHEMBL431048 | N-(5-{(S)-3-[(1-{4-[3-(2,5-Difluoro...) Show SMILES CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)NCc3cc(F)ccc3F)cc2)ccc1O Show InChI InChI=1S/C30H37F2N5O8S2/c1-46(41,42)36-28-15-25(5-9-29(28)39)45-19-24(38)18-33-16-20-10-12-37(13-11-20)47(43,44)26-6-3-23(4-7-26)35-30(40)34-17-21-14-22(31)2-8-27(21)32/h2-9,14-15,20,24,33,36,38-39H,10-13,16-19H2,1H3,(H2,34,35,40)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Compound was tested for the antagonistic activity against Beta-2 adrenergic receptor				Bioorg Med Chem Lett 12: 2957-61 (2002) BindingDB Entry DOI: 10.7270/Q2HT2NP4
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50227908 (CHEMBL77988) Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl Show InChI InChI=1S/C19H23Cl3N2O2/c1-2-3-4-5-6-9-24(13-15-8-7-10-26-15)19(25)23-18-16(21)11-14(20)12-17(18)22/h7-8,10-12H,2-6,9,13H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	311	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227935 (CHEMBL75708) Show SMILES CCCCCCN(CCCCCC)C(=O)Nc1ccc(C)cc1C Show InChI InChI=1S/C21H36N2O/c1-5-7-9-11-15-23(16-12-10-8-6-2)21(24)22-20-14-13-18(3)17-19(20)4/h13-14,17H,5-12,15-16H2,1-4H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227908 (CHEMBL77988) Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl Show InChI InChI=1S/C19H23Cl3N2O2/c1-2-3-4-5-6-9-24(13-15-8-7-10-26-15)19(25)23-18-16(21)11-14(20)12-17(18)22/h7-8,10-12H,2-6,9,13H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	406	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227910 (CHEMBL305937) Show SMILES Cc1ccc(NC(=O)N(CCCCC2CCCCC2)CCCCC2CCCCC2)c(C)c1 Show InChI InChI=1S/C29H48N2O/c1-24-19-20-28(25(2)23-24)30-29(32)31(21-11-9-17-26-13-5-3-6-14-26)22-12-10-18-27-15-7-4-8-16-27/h19-20,23,26-27H,3-18,21-22H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	431	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227918 (CHEMBL75224) Show SMILES Cc1cc(C)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C Show InChI InChI=1S/C24H26N2O/c1-18-14-20(3)23(15-19(18)2)25-24(27)26(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22/h4-15H,16-17H2,1-3H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	446	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227912 (CHEMBL75204) Show SMILES CCCCCCCN(Cc1cccs1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl Show InChI InChI=1S/C19H23Cl3N2OS/c1-2-3-4-5-6-9-24(13-14-8-7-10-26-14)19(25)23-18-12-16(21)15(20)11-17(18)22/h7-8,10-12H,2-6,9,13H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	484	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50002132 ((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...) Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...				J Med Chem 35: 3081-4 (1992) BindingDB Entry DOI: 10.7270/Q2PR7TWN
					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	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol				J Med Chem 35: 3081-4 (1992) BindingDB Entry DOI: 10.7270/Q2PR7TWN
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227931 (CHEMBL76938) Show SMILES CCCCCCCCCCN(CCCCCCCCCC)C(=O)Nc1ccc(C)cc1C Show InChI InChI=1S/C29H52N2O/c1-5-7-9-11-13-15-17-19-23-31(24-20-18-16-14-12-10-8-6-2)29(32)30-28-22-21-26(3)25-27(28)4/h21-22,25H,5-20,23-24H2,1-4H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	629	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227921 (CHEMBL75709) Show SMILES CCCCCCCN(CCCCCCC)C(=O)Nc1ccc(C)cc1C Show InChI InChI=1S/C23H40N2O/c1-5-7-9-11-13-17-25(18-14-12-10-8-6-2)23(26)24-22-16-15-20(3)19-21(22)4/h15-16,19H,5-14,17-18H2,1-4H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	721	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50022279 (3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...) Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the effect on Cholesterol O-Acyltransferase (ACAT) in Liver microsomes				J Med Chem 29: 1131-3 (1987) BindingDB Entry DOI: 10.7270/Q2V69HKP
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50022279 (3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...) Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the effect on Cholesterol O-Acyltransferase (ACAT) in intestinal microsomes				J Med Chem 29: 1131-3 (1987) BindingDB Entry DOI: 10.7270/Q2V69HKP
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227943 (CHEMBL76935) Show SMILES CCCCCN(CCCCC)C(=O)Nc1ccc(C)cc1C Show InChI InChI=1S/C19H32N2O/c1-5-7-9-13-21(14-10-8-6-2)19(22)20-18-12-11-16(3)15-17(18)4/h11-12,15H,5-10,13-14H2,1-4H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	952	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ACAT derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227909 (CHEMBL307505) Show SMILES CC(C)(C)CCN(Cc1cccs1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl Show InChI InChI=1S/C18H21Cl3N2OS/c1-18(2,3)6-7-23(11-13-5-4-8-25-13)17(24)22-16-14(20)9-12(19)10-15(16)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	976	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards beta-2 adrenergic receptor in rat soleus membrane by displacing(-)-isoproterenol (50 microM)				J Med Chem 35: 3081-4 (1992) BindingDB Entry DOI: 10.7270/Q2PR7TWN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 351 total )  |  Next  |  Last  >>

Jump to: