Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM261479' 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)) | BDBM261479
(US10011568, Ex. No. 2 | US9708266, 2)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CCC(O)=O)CC1 |(2,1.93,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;3.9,1.72,;5.44,1.72,;6,-.38,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;7.34,.38,;10,.38,;11.34,-.38,;10,1.93,;11.34,1.15,;7.34,-4.23,;8.67,-5,;6,-5,;7.34,-5.78,;.67,-.38,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;-.67,1.93,;.67,2.69,;.67,4.23,;-.67,5,;-.67,6.54,;-2,4.23,;-2,2.69,;-3.33,1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-6,-4.23,;-7.34,-5,;-8.67,-4.23,;-10,-5,;-11.34,-4.23,;-10,-6.54,;-4.67,-5,;-3.33,-4.23,)| Show InChI InChI=1S/C34H35F7N2O3/c1-19-13-25(35)10-11-26(19)27-17-28(21-8-5-20(6-9-21)7-12-30(44)45)42-18-29(27)43(4)31(46)32(2,3)22-14-23(33(36,37)38)16-24(15-22)34(39,40)41/h10-11,13-18,20-21H,5-9,12H2,1-4H3,(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 | 1.78 | 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)) | BDBM261479
(US10011568, Ex. No. 2 | US9708266, 2)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CCC(O)=O)CC1 |(2,1.93,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;3.9,1.72,;5.44,1.72,;6,-.38,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;7.34,.38,;10,.38,;11.34,-.38,;10,1.93,;11.34,1.15,;7.34,-4.23,;8.67,-5,;6,-5,;7.34,-5.78,;.67,-.38,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;-.67,1.93,;.67,2.69,;.67,4.23,;-.67,5,;-.67,6.54,;-2,4.23,;-2,2.69,;-3.33,1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-6,-4.23,;-7.34,-5,;-8.67,-4.23,;-10,-5,;-11.34,-4.23,;-10,-6.54,;-4.67,-5,;-3.33,-4.23,)| Show InChI InChI=1S/C34H35F7N2O3/c1-19-13-25(35)10-11-26(19)27-17-28(21-8-5-20(6-9-21)7-12-30(44)45)42-18-29(27)43(4)31(46)32(2,3)22-14-23(33(36,37)38)16-24(15-22)34(39,40)41/h10-11,13-18,20-21H,5-9,12H2,1-4H3,(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 | 1.78 | 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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