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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM261481'   
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))
BDBM261481
PNG
(US10011568, Ex. No. 4 | US9708266, 4)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1(C)CCCC(CC(O)=O)C1
Show InChI InChI=1S/C34H35F7N2O3/c1-19-11-24(35)8-9-25(19)26-16-28(32(4)10-6-7-20(17-32)12-29(44)45)42-18-27(26)43(5)30(46)31(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h8-9,11,13-16,18,20H,6-7,10,12,17H2,1-5H3,(H,44,45)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.35n/an/an/an/an/an/a



Wyeth Research



Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


J Med Chem 52: 5013-6 (2009)


BindingDB Entry DOI: 10.7270/Q2HT2RQT
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM261481
PNG
(US10011568, Ex. No. 4 | US9708266, 4)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1(C)CCCC(CC(O)=O)C1
Show InChI InChI=1S/C34H35F7N2O3/c1-19-11-24(35)8-9-25(19)26-16-28(32(4)10-6-7-20(17-32)12-29(44)45)42-18-27(26)43(5)30(46)31(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h8-9,11,13-16,18,20H,6-7,10,12,17H2,1-5H3,(H,44,45)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.35n/an/an/an/a7.425



KISSEI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 μL/well. DMSO solutions ...


US Patent US9708266 (2017)


BindingDB Entry DOI: 10.7270/Q2HM5BGS
More data for this
Ligand-Target Pair