BDBM50002598 CHEMBL152535

SMILES: C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1

InChI Key: InChIKey=SNJIJYKMYQRHRC-WJKBNZMCSA-M

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 = 50002598   

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))	BDBM50002598 (CHEMBL152535) Show SMILES C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4.Na/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);/q;+1/p-1/t13-,18+;/m1./s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem 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 Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50002598 (CHEMBL152535) Show SMILES C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4.Na/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);/q;+1/p-1/t13-,18+;/m1./s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<794	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50002598 (CHEMBL152535) Show SMILES C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4.Na/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);/q;+1/p-1/t13-,18+;/m1./s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	50	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))	BDBM50002598 (CHEMBL152535) Show SMILES C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4.Na/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);/q;+1/p-1/t13-,18+;/m1./s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	<794	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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50002598 (CHEMBL152535) Show SMILES C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4.Na/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);/q;+1/p-1/t13-,18+;/m1./s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem 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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50002598 (CHEMBL152535) Show SMILES C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4.Na/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);/q;+1/p-1/t13-,18+;/m1./s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair