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SMILES: C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1

InChI Key: InChIKey=XONYCBGQLPOOHV-KOSHJBKYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50027821   
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-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50027821
PNG
(CHEMBL347616)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClN3O4S/c1-18(27-17-24(30)20-6-5-7-21(26)15-20)16-28-22-12-10-19(11-13-22)14-25(31)29-34(32,33)23-8-3-2-4-9-23/h2-13,15,18,24,27-28,30H,14,16-17H2,1H3,(H,29,31)/t18-,24+/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/an/an/a 32n/an/an/an/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))
BDBM50027821
PNG
(CHEMBL347616)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClN3O4S/c1-18(27-17-24(30)20-6-5-7-21(26)15-20)16-28-22-12-10-19(11-13-22)14-25(31)29-34(32,33)23-8-3-2-4-9-23/h2-13,15,18,24,27-28,30H,14,16-17H2,1H3,(H,29,31)/t18-,24+/m1/s1
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PC sid
UniChem

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PubMed
n/an/an/an/a 794n/an/an/an/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))
BDBM50027821
PNG
(CHEMBL347616)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClN3O4S/c1-18(27-17-24(30)20-6-5-7-21(26)15-20)16-28-22-12-10-19(11-13-22)14-25(31)29-34(32,33)23-8-3-2-4-9-23/h2-13,15,18,24,27-28,30H,14,16-17H2,1H3,(H,29,31)/t18-,24+/m1/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 0.790n/an/an/an/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