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Articleid 50029393

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50284050
PNG
((S)-2-(2-Methoxy-phenyl)-1-((R)-1-oxo-4,4-diphenyl...)
Show SMILES COc1ccccc1[C@H](C)C(=O)N1CC2[C@@H](C1)C(CCS2=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c1-21(24-15-9-10-16-26(24)33-2)28(31)30-19-25-27(20-30)34(32)18-17-29(25,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,25,27H,17-20H2,1-2H3/t21-,25+,27?,34?/m0/s1
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UniChem
Article
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity to rat Tachykinin receptor 1


Bioorg Med Chem Lett 4: 669-672 (1994)


Article DOI: 10.1016/S0960-894X(01)80177-3
BindingDB Entry DOI: 10.7270/Q2XK8FH0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM50284050
PNG
((S)-2-(2-Methoxy-phenyl)-1-((R)-1-oxo-4,4-diphenyl...)
Show SMILES COc1ccccc1[C@H](C)C(=O)N1CC2[C@@H](C1)C(CCS2=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c1-21(24-15-9-10-16-26(24)33-2)28(31)30-19-25-27(20-30)34(32)18-17-29(25,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,25,27H,17-20H2,1-2H3/t21-,25+,27?,34?/m0/s1
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PC sid
UniChem
Article
n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity to guinea pig Tachykinin receptor 1


Bioorg Med Chem Lett 4: 669-672 (1994)


Article DOI: 10.1016/S0960-894X(01)80177-3
BindingDB Entry DOI: 10.7270/Q2XK8FH0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM50284050
PNG
((S)-2-(2-Methoxy-phenyl)-1-((R)-1-oxo-4,4-diphenyl...)
Show SMILES COc1ccccc1[C@H](C)C(=O)N1CC2[C@@H](C1)C(CCS2=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c1-21(24-15-9-10-16-26(24)33-2)28(31)30-19-25-27(20-30)34(32)18-17-29(25,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,25,27H,17-20H2,1-2H3/t21-,25+,27?,34?/m0/s1
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UniChem
Article
n/an/a 49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity, measured in [3H]-SP binding assay on human IM9 lymphoblast cultured cell line


Bioorg Med Chem Lett 4: 669-672 (1994)


Article DOI: 10.1016/S0960-894X(01)80177-3
BindingDB Entry DOI: 10.7270/Q2XK8FH0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50284050
PNG
((S)-2-(2-Methoxy-phenyl)-1-((R)-1-oxo-4,4-diphenyl...)
Show SMILES COc1ccccc1[C@H](C)C(=O)N1CC2[C@@H](C1)C(CCS2=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c1-21(24-15-9-10-16-26(24)33-2)28(31)30-19-25-27(20-30)34(32)18-17-29(25,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,25,27H,17-20H2,1-2H3/t21-,25+,27?,34?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity to guinea pig Tachykinin receptor 1


Bioorg Med Chem Lett 4: 669-672 (1994)


Article DOI: 10.1016/S0960-894X(01)80177-3
BindingDB Entry DOI: 10.7270/Q2XK8FH0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%