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7 similar compounds to monomer 109518

Compile data set for download or QSAR
Wt: 196.6
BDBM109349
Purchase
Wt: 210.6
BDBM109414
Wt: 196.6
BDBM109442
Purchase
Wt: 224.6
BDBM109508
Wt: 242.6
BDBM109516
Wt: 245.1
BDBM109526
Wt: 242.6
BDBM109535

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 109349,109414,109442,109508,109516,109526,109535   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109535
PNG
(US8604061, 308)
Show SMILES Cc1cc(c(F)cc1Cl)[C@@]1(C)COC(N)=N1
Show InChI InChI=1S/C11H12ClFN2O/c1-6-3-7(9(13)4-8(6)12)11(2)5-16-10(14)15-11/h3-4H,5H2,1-2H3,(H2,14,15)/t11-/m1/s1
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US Patent
0.900n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Radioligand binding assay using TAAR1.


US Patent US8604061 (2013)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109516
PNG
(US8604061, 274)
Show SMILES Cc1cc(c(F)cc1Cl)C1(C)COC(N)=N1
Show InChI InChI=1S/C11H12ClFN2O/c1-6-3-7(9(13)4-8(6)12)11(2)5-16-10(14)15-11/h3-4H,5H2,1-2H3,(H2,14,15)
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1.10n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Radioligand binding assay using TAAR1.


US Patent US8604061 (2013)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109442
PNG
(US8604061, 169)
Show SMILES NC1=N[C@H](CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H9ClN2O/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)/t8-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Radioligand binding assay using TAAR1.


US Patent US8604061 (2013)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109349
PNG
(US8604061, 5)
Show SMILES NC1=NC(CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H9ClN2O/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)
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2.10n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Radioligand binding assay using TAAR1.


US Patent US8604061 (2013)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109508
PNG
(US8604061, 263)
Show SMILES Cc1cc(ccc1Cl)C1(C)COC(N)=N1
Show InChI InChI=1S/C11H13ClN2O/c1-7-5-8(3-4-9(7)12)11(2)6-15-10(13)14-11/h3-5H,6H2,1-2H3,(H2,13,14)
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2.30n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Radioligand binding assay using TAAR1.


US Patent US8604061 (2013)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109526
PNG
(US8604061, 294)
Show SMILES CC1(COC(N)=N1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C10H10Cl2N2O/c1-10(5-15-9(13)14-10)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3,(H2,13,14)
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3.80n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Radioligand binding assay using TAAR1.


US Patent US8604061 (2013)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109414
PNG
(US8604061, 136)
Show SMILES C[C@@]1(COC(N)=N1)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H11ClN2O/c1-10(6-14-9(12)13-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H2,12,13)/t10-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Radioligand binding assay using TAAR1.


US Patent US8604061 (2013)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM109442
PNG
(US8604061, 169)
Show SMILES NC1=N[C@H](CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H9ClN2O/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)/t8-/m1/s1
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Article
PubMed
n/an/an/an/a 52n/an/an/an/a



Roche Innovation Center Basel

Curated by ChEMBL


Assay Description
Agonist activity at rat TAAR1 expressed in recombinant HEK293 cells assessed as cAMP accumulation after 30 mins by luminometer


ACS Med Chem Lett 7: 192-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00449
BindingDB Entry DOI: 10.7270/Q2NP2687
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM109442
PNG
(US8604061, 169)
Show SMILES NC1=N[C@H](CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H9ClN2O/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)/t8-/m1/s1
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antibodypedia
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Article
PubMed
n/an/an/an/a 143n/an/an/an/a



Roche Innovation Center Basel

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in recombinant HEK293 cells assessed as cAMP accumulation after 30 mins by luminometer


ACS Med Chem Lett 7: 192-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00449
BindingDB Entry DOI: 10.7270/Q2NP2687
More data for this
Ligand-Target Pair