BDBM50372691 CHEMBL257106

SMILES: O[C@@H](CNCCc1ccc(c(Cl)c1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1

InChI Key: InChIKey=IQKCPEMRGFWRHP-QFIPXVFZSA-N

Data: 2 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 2 hits for monomerid = 50372691   

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))	BDBM50372691 (CHEMBL257106) Show SMILES O[C@@H](CNCCc1ccc(c(Cl)c1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H21Cl2NO3/c24-19-3-1-2-18(13-19)22(27)14-26-11-10-15-4-9-20(21(25)12-15)16-5-7-17(8-6-16)23(28)29/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/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	9.70	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA				J Med Chem 51: 1925-44 (2008) Article DOI: 10.1021/jm701324c BindingDB Entry DOI: 10.7270/Q24X58PB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50372691 (CHEMBL257106) Show SMILES O[C@@H](CNCCc1ccc(c(Cl)c1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H21Cl2NO3/c24-19-3-1-2-18(13-19)22(27)14-26-11-10-15-4-9-20(21(25)12-15)16-5-7-17(8-6-16)23(28)29/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/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	3.10	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA				J Med Chem 51: 1925-44 (2008) Article DOI: 10.1021/jm701324c BindingDB Entry DOI: 10.7270/Q24X58PB
					More data for this Ligand-Target Pair