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FENOTEROL 5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamino)ethyl)benzene-1,3-diol::5-{1-Hydroxy-2-[2-(4-hydroxy-phenyl)-1-methyl-ethylamino]-ethyl}-benzene-1,3-diol::CHEMBL32800

SMILES: CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1

InChI Key: InChIKey=LSLYOANBFKQKPT-UHFFFAOYSA-N

Data: 6 KI  1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match
png missing

Other Databases links: CHEBI PubChem cid PubChem sid ZINC 0

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50131281    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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


(GUINEA PIG)
FENOTEROL
PNG
(5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...)
Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
PC cid
PC sid
UniChem
ZINC 0

Patents


Similars


Cmpd Page

AffyNet 
PubMed
489.77n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 665-74 (1994)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
FENOTEROL
PNG
(5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...)
Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
PC cid
PC sid
UniChem
ZINC 0

Patents


Similars


Cmpd Page

AffyNet 
PubMed
512.86n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 665-74 (1994)

More data for this
Ligand-Target Pair
ADRB2


(HUMAN)
FENOTEROL
PNG
(5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...)
Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
PC cid
PC sid
UniChem
ZINC 0

Patents


Similars


Cmpd Page

AffyNet 
Article
PubMed
719.0n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
ADRB1


(GUINEA PIG)
FENOTEROL
PNG
(5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...)
Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
PC cid
PC sid
UniChem
ZINC 0

Patents


Similars


Cmpd Page

AffyNet 
PubMed
4168.69n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 665-74 (1994)

More data for this
Ligand-Target Pair
Adrenergic receptor beta; ADRB1 & ADRB3


(Homo sapiens (human))
FENOTEROL
PNG
(5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...)
Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
Reactome pathway
IUPHAR‑DB
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
Antibodypedia

GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
PC cid
PC sid
UniChem
ZINC 0

Patents


Similars


Cmpd Page

AffyNet 
DrugBank
Article
PubMed
>10000.0n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta; ADRB1 & ADRB3


(Homo sapiens (human))
FENOTEROL
PNG
(5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...)
Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
Reactome pathway
IUPHAR‑DB
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
Antibodypedia

GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
PC cid
PC sid
UniChem
ZINC 0

Patents


Similars


Cmpd Page

AffyNet 
DrugBank
Article
PubMed
>10000.0n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
FENOTEROL
PNG
(5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...)
Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
PC cid
PC sid
UniChem
ZINC 0

Patents


Similars


Cmpd Page

AffyNet 
Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in pres...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
FENOTEROL
PNG
(5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...)
Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
PC cid
PC sid
UniChem
ZINC 0

Patents


Similars


Cmpd Page

AffyNet 
PubMed
n/an/a 60.0n/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]-NECA as radioligand


Bioorg Med Chem Lett 13: 2687-92 (2003)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
FENOTEROL
PNG
(5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...)
Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
PC cid
PC sid
UniChem
ZINC 0

Patents


Similars


Cmpd Page

AffyNet 
Article
PubMed
n/an/an/an/a 18n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction


Citation and Details
More data for this
Ligand-Target Pair