BDBM50122648 (alphaS,betaR)(2-Chloro-4-{2-[2-hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethylamino]-ethyl}-phenoxy)-acetic acid::CHEMBL13560

SMILES: C[C@@H](NCCc1ccc(OCC(O)=O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1

InChI Key: InChIKey=YNCNZXJRRRALAJ-CWTRNNRKSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 50122648   

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 (Rattus norvegicus)	BDBM50122648 ((alphaS,betaR)(2-Chloro-4-{2-[2-hydroxy-2-(4-hydro...) Show SMILES C[C@@H](NCCc1ccc(OCC(O)=O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C19H22ClNO5/c1-12(19(25)14-3-5-15(22)6-4-14)21-9-8-13-2-7-17(16(20)10-13)26-11-18(23)24/h2-7,10,12,19,21-22,25H,8-9,11H2,1H3,(H,23,24)/t12-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of spontaneous contractions in isolated rat uterus				J Med Chem 46: 105-12 (2002) Article DOI: 10.1021/jm020177z BindingDB Entry DOI: 10.7270/Q2BP03J1
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	BDBM50122648 ((alphaS,betaR)(2-Chloro-4-{2-[2-hydroxy-2-(4-hydro...) Show SMILES C[C@@H](NCCc1ccc(OCC(O)=O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C19H22ClNO5/c1-12(19(25)14-3-5-15(22)6-4-14)21-9-8-13-2-7-17(16(20)10-13)26-11-18(23)24/h2-7,10,12,19,21-22,25H,8-9,11H2,1H3,(H,23,24)/t12-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonistic activity for Beta-2 adrenergic receptor was assessed by it's inhibitory effect on spontaneous contractions in isolated rat uterus				J Med Chem 46: 105-12 (2002) Article DOI: 10.1021/jm020177z BindingDB Entry DOI: 10.7270/Q2BP03J1
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50122648 ((alphaS,betaR)(2-Chloro-4-{2-[2-hydroxy-2-(4-hydro...) Show SMILES C[C@@H](NCCc1ccc(OCC(O)=O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C19H22ClNO5/c1-12(19(25)14-3-5-15(22)6-4-14)21-9-8-13-2-7-17(16(20)10-13)26-11-18(23)24/h2-7,10,12,19,21-22,25H,8-9,11H2,1H3,(H,23,24)/t12-,19-/m1/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	3.80	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Concentration required to effect a 50% relaxation of ferret detrusor basal tone				J Med Chem 46: 105-12 (2002) Article DOI: 10.1021/jm020177z BindingDB Entry DOI: 10.7270/Q2BP03J1
					More data for this Ligand-Target Pair