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BDBM50027809 CHEMBL154906

SMILES: C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1

InChI Key: InChIKey=GCPYHBLSPJNXID-KOSHJBKYSA-N

Data: 3 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 = 50027809   
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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027809
PNG
(CHEMBL154906)
Show SMILES C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H29ClN4O4S/c1-18(27-17-24(31)20-8-6-9-21(26)14-20)15-28-22-10-5-7-19(13-22)16-29-25(32)30-35(33,34)23-11-3-2-4-12-23/h2-14,18,24,27-28,31H,15-17H2,1H3,(H2,29,30,32)/t18-,24+/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 251n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of human beta 2 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50027809
PNG
(CHEMBL154906)
Show SMILES C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H29ClN4O4S/c1-18(27-17-24(31)20-8-6-9-21(26)14-20)15-28-22-10-5-7-19(13-22)16-29-25(32)30-35(33,34)23-11-3-2-4-12-23/h2-14,18,24,27-28,31H,15-17H2,1H3,(H2,29,30,32)/t18-,24+/m1/s1
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of human beta 1 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027809
PNG
(CHEMBL154906)
Show SMILES C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H29ClN4O4S/c1-18(27-17-24(31)20-8-6-9-21(26)14-20)15-28-22-10-5-7-19(13-22)16-29-25(32)30-35(33,34)23-11-3-2-4-12-23/h2-14,18,24,27-28,31H,15-17H2,1H3,(H2,29,30,32)/t18-,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 16n/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)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair