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2 similar compounds to monomer 119204

Compile data set for download or QSAR
Wt: 317.7
BDBM119151
Wt: 331.8
BDBM119185

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 119151,119185   
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
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM119151
PNG
(US8673950, 18)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ncc(Cl)cn3)cc2)CO1
Show InChI InChI=1S/C15H16ClN5O/c16-11-7-18-15(19-8-11)21-12-4-1-10(2-5-12)3-6-13-9-22-14(17)20-13/h1-2,4-5,7-8,13H,3,6,9H2,(H2,17,20)(H,18,19,21)/t13-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
0.200n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM119185
PNG
(US8673950, 52)
Show SMILES C[C@@H]1OC(N)=N[C@H]1CCc1ccc(Nc2ncc(Cl)cn2)cc1
Show InChI InChI=1S/C16H18ClN5O/c1-10-14(22-15(18)23-10)7-4-11-2-5-13(6-3-11)21-16-19-8-12(17)9-20-16/h2-3,5-6,8-10,14H,4,7H2,1H3,(H2,18,22)(H,19,20,21)/t10-,14-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
0.600n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM119151
PNG
(US8673950, 18)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ncc(Cl)cn3)cc2)CO1
Show InChI InChI=1S/C15H16ClN5O/c16-11-7-18-15(19-8-11)21-12-4-1-10(2-5-12)3-6-13-9-22-14(17)20-13/h1-2,4-5,7-8,13H,3,6,9H2,(H2,17,20)(H,18,19,21)/t13-/m0/s1
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UniProtKB/SwissProt

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PC sid
UniChem

Similars

US Patent
1.20n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM119185
PNG
(US8673950, 52)
Show SMILES C[C@@H]1OC(N)=N[C@H]1CCc1ccc(Nc2ncc(Cl)cn2)cc1
Show InChI InChI=1S/C16H18ClN5O/c1-10-14(22-15(18)23-10)7-4-11-2-5-13(6-3-11)21-16-19-8-12(17)9-20-16/h2-3,5-6,8-10,14H,4,7H2,1H3,(H2,18,22)(H,19,20,21)/t10-,14-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
4.60n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair