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BDBM206772 (R,S)-4::US9492405, (R,S)-4

SMILES: C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1

InChI Key: InChIKey=YSDUJIGQJOLYND-GTNSWQLSSA-N

Data: 2 KI  1 Kd

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 = 206772   
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))
BDBM206772
PNG
((R,S)-4 | US9492405, (R,S)-4)
Show SMILES C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C17H22N2O3/c1-11(5-12-3-2-4-14(18)6-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-4,6-9,11,17,19-22H,5,10,18H2,1H3/t11-,17-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
6.04E+3 -6.61n/an/an/an/an/a7.84



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM206772
PNG
((R,S)-4 | US9492405, (R,S)-4)
Show SMILES C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C17H22N2O3/c1-11(5-12-3-2-4-14(18)6-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-4,6-9,11,17,19-22H,5,10,18H2,1H3/t11-,17-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
3.30E+4 -5.68n/an/an/an/an/a7.84



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM206772
PNG
((R,S)-4 | US9492405, (R,S)-4)
Show SMILES C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C17H22N2O3/c1-11(5-12-3-2-4-14(18)6-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-4,6-9,11,17,19-22H,5,10,18H2,1H3/t11-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 6.03E+3n/an/an/a7.7n/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
HEK 293 cells stability transfected with cDNA encoding human beta2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) wer...


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair