Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM261483' 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)) | BDBM261483
(US10011568, Ex. No. 6 | US9708266, 6)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(O)(CC(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-6.67,-6.16,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)| Show InChI InChI=1S/C33H33F7N2O4/c1-18-11-23(34)5-6-24(18)25-15-26(19-7-9-31(46,10-8-19)16-28(43)44)41-17-27(25)42(4)29(45)30(2,3)20-12-21(32(35,36)37)14-22(13-20)33(38,39)40/h5-6,11-15,17,19,46H,7-10,16H2,1-4H3,(H,43,44) | 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 | 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)) | BDBM261483
(US10011568, Ex. No. 6 | US9708266, 6)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(O)(CC(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-6.67,-6.16,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)| Show InChI InChI=1S/C33H33F7N2O4/c1-18-11-23(34)5-6-24(18)25-15-26(19-7-9-31(46,10-8-19)16-28(43)44)41-17-27(25)42(4)29(45)30(2,3)20-12-21(32(35,36)37)14-22(13-20)33(38,39)40/h5-6,11-15,17,19,46H,7-10,16H2,1-4H3,(H,43,44) | 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 | 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 | |