BDBM50378078 CHEMBL1203998

SMILES: O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1

InChI Key: InChIKey=QDJYLFKDOGVOFV-QFIPXVFZSA-N

Data: 6 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50378078   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50378078 (CHEMBL1203998) Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C24H26BrN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50378078 (CHEMBL1203998) Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C24H26BrN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378078 (CHEMBL1203998) Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C24H26BrN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoass...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50378078 (CHEMBL1203998) Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C24H26BrN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378078 (CHEMBL1203998) Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C24H26BrN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoass...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50378078 (CHEMBL1203998) Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C24H26BrN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair