Compile Data Set for Download or QSAR

Found 363 hits with Last Name = 'johansson' and Initial = 'h'   

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))	BDBM50518984 (CHEMBL4564189) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C33H54N4O5/c1-25(2)36-21-29(38)23-41-31-17-7-5-13-27(31)15-9-11-19-34-33(40)35-20-12-10-16-28-14-6-8-18-32(28)42-24-30(39)22-37-26(3)4/h5-8,13-14,17-18,25-26,29-30,36-39H,9-12,15-16,19-24H2,1-4H3,(H2,34,35,40)/t29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518969 (CHEMBL4514723) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C36H55N9O4/c1-27(2)38-21-33(46)25-48-35-15-7-5-11-29(35)13-9-17-44-23-31(40-42-44)19-37-20-32-24-45(43-41-32)18-10-14-30-12-6-8-16-36(30)49-26-34(47)22-39-28(3)4/h5-8,11-12,15-16,23-24,27-28,33-34,37-39,46-47H,9-10,13-14,17-22,25-26H2,1-4H3/t33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518981 (CHEMBL4594173) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C34H54N4O6/c1-25(2)37-21-29(39)23-43-31-15-7-5-11-27(31)13-9-17-33(41)35-19-20-36-34(42)18-10-14-28-12-6-8-16-32(28)44-24-30(40)22-38-26(3)4/h5-8,11-12,15-16,25-26,29-30,37-40H,9-10,13-14,17-24H2,1-4H3,(H,35,41)(H,36,42)/t29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.759	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518993 (CHEMBL4527821) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C32H52N2O4/c1-25(2)33-21-29(35)23-37-31-19-13-11-17-27(31)15-9-7-5-6-8-10-16-28-18-12-14-20-32(28)38-24-30(36)22-34-26(3)4/h11-14,17-20,25-26,29-30,33-36H,5-10,15-16,21-24H2,1-4H3/t29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518982 (CHEMBL4462252) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C34H51N9O4/c1-25(2)36-19-31(44)23-46-33-11-7-5-9-27(33)13-15-42-21-29(38-40-42)17-35-18-30-22-43(41-39-30)16-14-28-10-6-8-12-34(28)47-24-32(45)20-37-26(3)4/h5-12,21-22,25-26,31-32,35-37,44-45H,13-20,23-24H2,1-4H3/t31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518977 (CHEMBL1160734) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CC=C |r| Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.933	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518973 (CHEMBL4473518) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H48N2O4/c1-23(2)31-19-27(33)21-35-29-17-11-9-15-25(29)13-7-5-6-8-14-26-16-10-12-18-30(26)36-22-28(34)20-32-24(3)4/h9-12,15-18,23-24,27-28,31-34H,5-8,13-14,19-22H2,1-4H3/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518968 (CHEMBL4441975) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C36H60N2O4/c1-29(2)37-25-33(39)27-41-35-23-17-15-21-31(35)19-13-11-9-7-5-6-8-10-12-14-20-32-22-16-18-24-36(32)42-28-34(40)26-38-30(3)4/h15-18,21-24,29-30,33-34,37-40H,5-14,19-20,25-28H2,1-4H3/t33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518969 (CHEMBL4514723) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C36H55N9O4/c1-27(2)38-21-33(46)25-48-35-15-7-5-11-29(35)13-9-17-44-23-31(40-42-44)19-37-20-32-24-45(43-41-32)18-10-14-30-12-6-8-16-36(30)49-26-34(47)22-39-28(3)4/h5-8,11-12,15-16,23-24,27-28,33-34,37-39,46-47H,9-10,13-14,17-22,25-26H2,1-4H3/t33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25764 (ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...) Show SMILES CC(C)NCC(O)COc1ccccc1CC=C Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518978 (CHEMBL4446394) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C31H50N4O5/c1-23(2)34-19-27(36)21-39-29-15-7-5-11-25(29)13-9-17-32-31(38)33-18-10-14-26-12-6-8-16-30(26)40-22-28(37)20-35-24(3)4/h5-8,11-12,15-16,23-24,27-28,34-37H,9-10,13-14,17-22H2,1-4H3,(H2,32,33,38)/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25764 (ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...) Show SMILES CC(C)NCC(O)COc1ccccc1CC=C Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518968 (CHEMBL4441975) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C36H60N2O4/c1-29(2)37-25-33(39)27-41-35-23-17-15-21-31(35)19-13-11-9-7-5-6-8-10-12-14-20-32-22-16-18-24-36(32)42-28-34(40)26-38-30(3)4/h15-18,21-24,29-30,33-34,37-40H,5-14,19-20,25-28H2,1-4H3/t33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518977 (CHEMBL1160734) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CC=C |r| Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518979 (CHEMBL4434772) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C34H56N2O4/c1-27(2)35-23-31(37)25-39-33-21-15-13-19-29(33)17-11-9-7-5-6-8-10-12-18-30-20-14-16-22-34(30)40-26-32(38)24-36-28(3)4/h13-16,19-22,27-28,31-32,35-38H,5-12,17-18,23-26H2,1-4H3/t31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518979 (CHEMBL4434772) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C34H56N2O4/c1-27(2)35-23-31(37)25-39-33-21-15-13-19-29(33)17-11-9-7-5-6-8-10-12-18-30-20-14-16-22-34(30)40-26-32(38)24-36-28(3)4/h13-16,19-22,27-28,31-32,35-38H,5-12,17-18,23-26H2,1-4H3/t31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25764 (ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...) Show SMILES CC(C)NCC(O)COc1ccccc1CC=C Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518982 (CHEMBL4462252) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C34H51N9O4/c1-25(2)36-19-31(44)23-46-33-11-7-5-9-27(33)13-15-42-21-29(38-40-42)17-35-18-30-22-43(41-39-30)16-14-28-10-6-8-12-34(28)47-24-32(45)20-37-26(3)4/h5-12,21-22,25-26,31-32,35-37,44-45H,13-20,23-24H2,1-4H3/t31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518974 (CHEMBL4574652) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCNC(=O)NCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C29H46N4O5/c1-21(2)32-17-25(34)19-37-27-11-7-5-9-23(27)13-15-30-29(36)31-16-14-24-10-6-8-12-28(24)38-20-26(35)18-33-22(3)4/h5-12,21-22,25-26,32-35H,13-20H2,1-4H3,(H2,30,31,36)/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518984 (CHEMBL4564189) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C33H54N4O5/c1-25(2)36-21-29(38)23-41-31-17-7-5-13-27(31)15-9-11-19-34-33(40)35-20-12-10-16-28-14-6-8-18-32(28)42-24-30(39)22-37-26(3)4/h5-8,13-14,17-18,25-26,29-30,36-39H,9-12,15-16,19-24H2,1-4H3,(H2,34,35,40)/t29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518993 (CHEMBL4527821) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C32H52N2O4/c1-25(2)33-21-29(35)23-37-31-19-13-11-17-27(31)15-9-7-5-6-8-10-16-28-18-12-14-20-32(28)38-24-30(36)22-34-26(3)4/h11-14,17-20,25-26,29-30,33-36H,5-10,15-16,21-24H2,1-4H3/t29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518973 (CHEMBL4473518) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H48N2O4/c1-23(2)31-19-27(33)21-35-29-17-11-9-15-25(29)13-7-5-6-8-14-26-16-10-12-18-30(26)36-22-28(34)20-32-24(3)4/h9-12,15-18,23-24,27-28,31-34H,5-8,13-14,19-22H2,1-4H3/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518981 (CHEMBL4594173) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C34H54N4O6/c1-25(2)37-21-29(39)23-43-31-15-7-5-11-27(31)13-9-17-33(41)35-19-20-36-34(42)18-10-14-28-12-6-8-16-32(28)44-24-30(40)22-38-26(3)4/h5-8,11-12,15-16,25-26,29-30,37-40H,9-10,13-14,17-24H2,1-4H3,(H,35,41)(H,36,42)/t29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518975 (CHEMBL4450606) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C32H50N4O6/c1-23(2)35-19-27(37)21-41-29-11-7-5-9-25(29)13-15-31(39)33-17-18-34-32(40)16-14-26-10-6-8-12-30(26)42-22-28(38)20-36-24(3)4/h5-12,23-24,27-28,35-38H,13-22H2,1-4H3,(H,33,39)(H,34,40)/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518976 (CHEMBL4442559) Show SMILES CC(C)NC[C@H](O)COc1ccccc1Cn1cc(CNCc2cn(Cc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C32H47N9O4/c1-23(2)34-15-29(42)21-44-31-11-7-5-9-25(31)17-40-19-27(36-38-40)13-33-14-28-20-41(39-37-28)18-26-10-6-8-12-32(26)45-22-30(43)16-35-24(3)4/h5-12,19-20,23-24,29-30,33-35,42-43H,13-18,21-22H2,1-4H3/t29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518972 (CHEMBL1395661) Show SMILES CC(C)NC[C@@H](O)COc1ccccc1CC=C Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518974 (CHEMBL4574652) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCNC(=O)NCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C29H46N4O5/c1-21(2)32-17-25(34)19-37-27-11-7-5-9-23(27)13-15-30-29(36)31-16-14-24-10-6-8-12-28(24)38-20-26(35)18-33-22(3)4/h5-12,21-22,25-26,32-35H,13-20H2,1-4H3,(H2,30,31,36)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518967 (CHEMBL4530266) Show SMILES CC(C)NC[C@H](O)COc1ccccc1-n1cc(CNCc2cn(nn2)-c2ccccc2OC[C@@H](O)CNC(C)C)nn1 |r| Show InChI InChI=1S/C30H43N9O4/c1-21(2)32-15-25(40)19-42-29-11-7-5-9-27(29)38-17-23(34-36-38)13-31-14-24-18-39(37-35-24)28-10-6-8-12-30(28)43-20-26(41)16-33-22(3)4/h5-12,17-18,21-22,25-26,31-33,40-41H,13-16,19-20H2,1-4H3/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518978 (CHEMBL4446394) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C31H50N4O5/c1-23(2)34-19-27(36)21-39-29-15-7-5-11-25(29)13-9-17-32-31(38)33-18-10-14-26-12-6-8-16-30(26)40-22-28(37)20-35-24(3)4/h5-8,11-12,15-16,23-24,27-28,34-37H,9-10,13-14,17-22H2,1-4H3,(H2,32,33,38)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518972 (CHEMBL1395661) Show SMILES CC(C)NC[C@@H](O)COc1ccccc1CC=C Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518976 (CHEMBL4442559) Show SMILES CC(C)NC[C@H](O)COc1ccccc1Cn1cc(CNCc2cn(Cc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C32H47N9O4/c1-23(2)34-15-29(42)21-44-31-11-7-5-9-25(31)17-40-19-27(36-38-40)13-33-14-28-20-41(39-37-28)18-26-10-6-8-12-32(26)45-22-30(43)16-35-24(3)4/h5-12,19-20,23-24,29-30,33-35,42-43H,13-18,21-22H2,1-4H3/t29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518975 (CHEMBL4450606) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C32H50N4O6/c1-23(2)35-19-27(37)21-41-29-11-7-5-9-25(29)13-15-31(39)33-17-18-34-32(40)16-14-26-10-6-8-12-30(26)42-22-28(38)20-36-24(3)4/h5-12,23-24,27-28,35-38H,13-22H2,1-4H3,(H,33,39)(H,34,40)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518970 (CHEMBL4474813) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H46N4O6/c1-21(2)33-17-25(35)19-39-27-11-7-5-9-23(27)15-29(37)31-13-14-32-30(38)16-24-10-6-8-12-28(24)40-20-26(36)18-34-22(3)4/h5-12,21-22,25-26,33-36H,13-20H2,1-4H3,(H,31,37)(H,32,38)/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518967 (CHEMBL4530266) Show SMILES CC(C)NC[C@H](O)COc1ccccc1-n1cc(CNCc2cn(nn2)-c2ccccc2OC[C@@H](O)CNC(C)C)nn1 |r| Show InChI InChI=1S/C30H43N9O4/c1-21(2)32-15-25(40)19-42-29-11-7-5-9-27(29)38-17-23(34-36-38)13-31-14-24-18-39(37-35-24)28-10-6-8-12-30(28)43-20-26(41)16-33-22(3)4/h5-12,17-18,21-22,25-26,31-33,40-41H,13-16,19-20H2,1-4H3/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518970 (CHEMBL4474813) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H46N4O6/c1-21(2)33-17-25(35)19-39-27-11-7-5-9-23(27)15-29(37)31-13-14-32-30(38)16-24-10-6-8-12-28(24)40-20-26(36)18-34-22(3)4/h5-12,21-22,25-26,33-36H,13-20H2,1-4H3,(H,31,37)(H,32,38)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250114 (CHEMBL4104286) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-23-24(14-17)36-12-11-35-23)37-21-8-9-22-18(13-21)15-31-33(22)20-6-4-19(28)5-7-20/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250125 (CHEMBL4061359) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C26H21F4N3O4/c1-15(32-25(34)26(28,29)30)24(16-2-9-22-23(13-16)36-11-10-35-22)37-20-7-8-21-17(12-20)14-31-33(21)19-5-3-18(27)4-6-19/h2-9,12-15,24H,10-11H2,1H3,(H,32,34)/t15-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0290	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250115 (CHEMBL4086388) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2CCOc2c1 |r| Show InChI InChI=1S/C27H24F3N3O3/c1-16(32-26(34)27(2,29)30)25(18-4-3-17-11-12-35-24(17)14-18)36-22-9-10-23-19(13-22)15-31-33(23)21-7-5-20(28)6-8-21/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141378 (US8916600, 12 | US9738632, Example 12) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-11-29-30(17-23)45-14-13-44-29)46-27-9-10-28-25(16-27)20-39-41(28)26-7-3-6-24(15-26)32(42)38-19-22-5-4-12-37-18-22/h3-12,15-18,20-21,31H,13-14,19H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0370	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50354849 (CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...) Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14| Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50354849 (CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...) Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14| Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0440	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250112 (CHEMBL4072756) Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F |r| Show InChI InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141371 (US8916600, 5 | US9738632, Example 5) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCOC1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141372 (US8916600, 6 | US9738632, Example 6) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.0560	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250126 (CHEMBL4094154) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-4-18-14-35-15-36-24(18)12-17)37-22-9-10-23-19(11-22)13-31-33(23)21-7-5-20(28)6-8-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0660	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250125 (CHEMBL4061359) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C26H21F4N3O4/c1-15(32-25(34)26(28,29)30)24(16-2-9-22-23(13-16)36-11-10-35-22)37-20-7-8-21-17(12-20)14-31-33(21)19-5-3-18(27)4-6-19/h2-9,12-15,24H,10-11H2,1H3,(H,32,34)/t15-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0730	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250114 (CHEMBL4104286) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-23-24(14-17)36-12-11-35-23)37-21-8-9-22-18(13-21)15-31-33(22)20-6-4-19(28)5-7-20/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250115 (CHEMBL4086388) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2CCOc2c1 |r| Show InChI InChI=1S/C27H24F3N3O3/c1-16(32-26(34)27(2,29)30)25(18-4-3-17-11-12-35-24(17)14-18)36-22-9-10-23-19(13-22)15-31-33(23)21-7-5-20(28)6-8-21/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.101	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair

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