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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50154571   
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50154571
PNG
(1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2,2-di...)
Show SMILES NC(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21F6NO/c25-23(26,27)19-11-16(12-20(13-19)24(28,29)30)14-32-15-21(31)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,21-22H,14-15,31H2
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Article
n/an/a 10.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50154571
PNG
(1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2,2-di...)
Show SMILES NC(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21F6NO/c25-23(26,27)19-11-16(12-20(13-19)24(28,29)30)14-32-15-21(31)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,21-22H,14-15,31H2
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Article
PubMed
n/an/a 10.7n/an/an/an/an/an/a



Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Inhibition of substance P binding to Tachykinin receptor 1 in Chinese hamster ovary cells


J Med Chem 47: 5381-92 (2004)


Article DOI: 10.1021/jm0311487
BindingDB Entry DOI: 10.7270/Q2MG7Q8Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50154571
PNG
(1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2,2-di...)
Show SMILES NC(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21F6NO/c25-23(26,27)19-11-16(12-20(13-19)24(28,29)30)14-32-15-21(31)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,21-22H,14-15,31H2
PDB
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Article
n/an/a 10.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Tachykinin receptor 1 expressed in CHO cells by the displacement of [125 I] substance P


Bioorg Med Chem Lett 4: 1903-1908 (1994)


Article DOI: 10.1016/S0960-894X(01)80531-X
BindingDB Entry DOI: 10.7270/Q2NK3DZ1
More data for this
Ligand-Target Pair