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BDBM27958 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-ol::Clenbuterol::Planipart

SMILES: CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1

InChI Key: InChIKey=STJMRWALKKWQGH-UHFFFAOYSA-N

Data: 1 KI  1 IC50  2 Kd  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 27958   
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))
BDBM27958
PNG
(1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)...)
Show SMILES CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
PDB
MMDB

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Article
PubMed
570 -8.43 1.30E+3n/a 6.20n/an/a7.422



Intervet Innovation GmbH



Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...


J Med Chem 52: 1773-7 (2009)

More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM27958
PNG
(1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)...)
Show SMILES CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
PDB
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PubMed
n/an/an/a 36n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)


J Med Chem 28: 1328-34 (1985)

More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM27958
PNG
(1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)...)
Show SMILES CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/a 37n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding affinity constant to beta-2 adrenergic receptor determined using [3H]DHA


J Med Chem 29: 549-54 (1986)

More data for this
Ligand-Target Pair