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BDBM50148525 (S)-N-(3,4-Dichloro-phenyl)-2-[2-hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-propionamide::CHEMBL118121

SMILES: COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=YFENHLLSWNIDGF-ZCYQVOJMSA-N

Data: 1 KI  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 2 hits for monomerid = 50148525   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148525
PNG
((S)-N-(3,4-Dichloro-phenyl)-2-[2-hydroxy-2-((R)-4-...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-25(16-5-8-18(36-2)9-6-16,24(33)29-17-7-10-19(26)20(27)13-17)28-14-23(32)15-4-11-22(31)21(12-15)30-37(3,34)35/h4-13,23,28,30-32H,14H2,1-3H3,(H,29,33)/t23-,25-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50148525
PNG
((S)-N-(3,4-Dichloro-phenyl)-2-[2-hydroxy-2-((R)-4-...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-25(16-5-8-18(36-2)9-6-16,24(33)29-17-7-10-19(26)20(27)13-17)28-14-23(32)15-4-11-22(31)21(12-15)30-37(3,34)35/h4-13,23,28,30-32H,14H2,1-3H3,(H,29,33)/t23-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.80E+4n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair