Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM261492' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Substance-P receptor
(Homo sapiens (Human)) | BDBM261492
(US10011568, Ex. No. 16 | US9708266, 16)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1)C#N |(1.33,2.31,;1.33,.77,;2.67,,;2.67,-1.54,;4,.77,;3.23,2.1,;4.77,2.1,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;8,,;6.67,.77,;9.34,.77,;10.67,,;9.34,2.31,;10.67,1.54,;6.67,-3.85,;8,-4.62,;5.33,-4.62,;6.67,-5.39,;;.05,-1.57,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;-1.33,2.31,;,3.08,;,4.62,;-1.33,5.39,;-2.67,4.62,;-2.67,3.08,;-4,2.31,;-4,-2.31,;-5.33,-1.54,;-6.67,-2.31,;-6.67,-3.85,;-8,-4.62,;-9.34,-3.85,;-10.67,-4.62,;-9.34,-2.31,;-5.33,-4.62,;-4,-3.85,;1.38,-2.34,;2.72,-3.11,)| Show InChI InChI=1S/C34H33F6N3O3/c1-19-7-5-6-8-25(19)26-17-27(21-11-9-20(10-12-21)13-29(44)45)42-28(18-41)30(26)43(4)31(46)32(2,3)22-14-23(33(35,36)37)16-24(15-22)34(38,39)40/h5-8,14-17,20-21H,9-13H2,1-4H3,(H,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.78 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM261492
(US10011568, Ex. No. 16 | US9708266, 16)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1)C#N |(1.33,2.31,;1.33,.77,;2.67,,;2.67,-1.54,;4,.77,;3.23,2.1,;4.77,2.1,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;8,,;6.67,.77,;9.34,.77,;10.67,,;9.34,2.31,;10.67,1.54,;6.67,-3.85,;8,-4.62,;5.33,-4.62,;6.67,-5.39,;;.05,-1.57,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;-1.33,2.31,;,3.08,;,4.62,;-1.33,5.39,;-2.67,4.62,;-2.67,3.08,;-4,2.31,;-4,-2.31,;-5.33,-1.54,;-6.67,-2.31,;-6.67,-3.85,;-8,-4.62,;-9.34,-3.85,;-10.67,-4.62,;-9.34,-2.31,;-5.33,-4.62,;-4,-3.85,;1.38,-2.34,;2.72,-3.11,)| Show InChI InChI=1S/C34H33F6N3O3/c1-19-7-5-6-8-25(19)26-17-27(21-11-9-20(10-12-21)13-29(44)45)42-28(18-41)30(26)43(4)31(46)32(2,3)22-14-23(33(35,36)37)16-24(15-22)34(38,39)40/h5-8,14-17,20-21H,9-13H2,1-4H3,(H,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.78 | n/a | n/a | n/a | n/a | 7.4 | 25 |
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 | |
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