BDBM50027813 CHEMBL153558

SMILES: C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1

InChI Key: InChIKey=PBYLYDVMGVRMLG-KUHUBIRLSA-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 = 50027813   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027813 (CHEMBL153558) Show SMILES C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H25ClN2O3/c1-14(22-13-19(24)16-3-2-4-17(21)11-16)12-23-18-8-5-15(6-9-18)7-10-20(25)26/h2-6,8-9,11,14,19,22-24H,7,10,12-13H2,1H3,(H,25,26)/t14-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration				J Med Chem 45: 567-83 (2002) BindingDB Entry DOI: 10.7270/Q2W0976P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027813 (CHEMBL153558) Show SMILES C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H25ClN2O3/c1-14(22-13-19(24)16-3-2-4-17(21)11-16)12-23-18-8-5-15(6-9-18)7-10-20(25)26/h2-6,8-9,11,14,19,22-24H,7,10,12-13H2,1H3,(H,25,26)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration				J Med Chem 45: 567-83 (2002) BindingDB Entry DOI: 10.7270/Q2W0976P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027813 (CHEMBL153558) Show SMILES C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H25ClN2O3/c1-14(22-13-19(24)16-3-2-4-17(21)11-16)12-23-18-8-5-15(6-9-18)7-10-20(25)26/h2-6,8-9,11,14,19,22-24H,7,10,12-13H2,1H3,(H,25,26)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem Lett 17: 4670-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.069 BindingDB Entry DOI: 10.7270/Q2NV9N1V
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027813 (CHEMBL153558) Show SMILES C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H25ClN2O3/c1-14(22-13-19(24)16-3-2-4-17(21)11-16)12-23-18-8-5-15(6-9-18)7-10-20(25)26/h2-6,8-9,11,14,19,22-24H,7,10,12-13H2,1H3,(H,25,26)/t14-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem Lett 17: 4670-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.069 BindingDB Entry DOI: 10.7270/Q2NV9N1V
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50027813 (CHEMBL153558) Show SMILES C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H25ClN2O3/c1-14(22-13-19(24)16-3-2-4-17(21)11-16)12-23-18-8-5-15(6-9-18)7-10-20(25)26/h2-6,8-9,11,14,19,22-24H,7,10,12-13H2,1H3,(H,25,26)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human beta-3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem Lett 17: 4670-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.069 BindingDB Entry DOI: 10.7270/Q2NV9N1V
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50027813 (CHEMBL153558) Show SMILES C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H25ClN2O3/c1-14(22-13-19(24)16-3-2-4-17(21)11-16)12-23-18-8-5-15(6-9-18)7-10-20(25)26/h2-6,8-9,11,14,19,22-24H,7,10,12-13H2,1H3,(H,25,26)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration				J Med Chem 45: 567-83 (2002) BindingDB Entry DOI: 10.7270/Q2W0976P
					More data for this Ligand-Target Pair