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BDBM50071283 CHEMBL67672::N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yloxy)-2-hydroxy-propylamino]-ethyl}-phenyl)-4-fluoro-benzenesulfonamide

SMILES: Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1

InChI Key: InChIKey=UMRMQEWJURCGSN-IBGZPJMESA-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 = 50071283   
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))
BDBM50071283
PNG
(CHEMBL67672 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
Show InChI InChI=1S/C22H25FN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell


Bioorg Med Chem Lett 8: 2111-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00381-3
BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50071283
PNG
(CHEMBL67672 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
Show InChI InChI=1S/C22H25FN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell


Bioorg Med Chem Lett 8: 2111-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00381-3
BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50071283
PNG
(CHEMBL67672 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
Show InChI InChI=1S/C22H25FN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 26n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for Adenylyl cyclase activation as % of the maximal stimulation with isoproterenol at 100 nM


Bioorg Med Chem Lett 8: 2111-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00381-3
BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair