Found 4 hits for monomerid = 261486 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Neurokinin 1 receptor
(Homo sapiens (Human)) | BDBM261486
(US10011568, Ex. No. 9 | US9708266, 9)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1 |(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,;;,-1.54,;-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,)| Show InChI InChI=1S/C33H34F6N2O3/c1-19-7-5-6-8-25(19)26-17-27(21-11-9-20(10-12-21)13-29(42)43)40-18-28(26)41(4)30(44)31(2,3)22-14-23(32(34,35)36)16-24(15-22)33(37,38)39/h5-8,14-18,20-21H,9-13H2,1-4H3,(H,42,43) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.35 | 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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM261486
(US10011568, Ex. No. 9 | US9708266, 9)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1 |(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,;;,-1.54,;-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,)| Show InChI InChI=1S/C33H34F6N2O3/c1-19-7-5-6-8-25(19)26-17-27(21-11-9-20(10-12-21)13-29(42)43)40-18-28(26)41(4)30(44)31(2,3)22-14-23(32(34,35)36)16-24(15-22)33(37,38)39/h5-8,14-18,20-21H,9-13H2,1-4H3,(H,42,43) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ... |
J Med Chem 52: 5013-6 (2009)
BindingDB Entry DOI: 10.7270/Q2HT2RQT |
More data for this Ligand-Target Pair | |
Neurokinin 1 receptor
(Homo sapiens (Human)) | BDBM261486
(US10011568, Ex. No. 9 | US9708266, 9)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1 |(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,;;,-1.54,;-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,)| Show InChI InChI=1S/C33H34F6N2O3/c1-19-7-5-6-8-25(19)26-17-27(21-11-9-20(10-12-21)13-29(42)43)40-18-28(26)41(4)30(44)31(2,3)22-14-23(32(34,35)36)16-24(15-22)33(37,38)39/h5-8,14-18,20-21H,9-13H2,1-4H3,(H,42,43) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.35 | 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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM261486
(US10011568, Ex. No. 9 | US9708266, 9)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1 |(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,;;,-1.54,;-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,)| Show InChI InChI=1S/C33H34F6N2O3/c1-19-7-5-6-8-25(19)26-17-27(21-11-9-20(10-12-21)13-29(42)43)40-18-28(26)41(4)30(44)31(2,3)22-14-23(32(34,35)36)16-24(15-22)33(37,38)39/h5-8,14-18,20-21H,9-13H2,1-4H3,(H,42,43) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KISSEI PHARMACEUTICAL CO., LTD.
US Patent
| Assay Description A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ... |
US Patent US9708266 (2017)
BindingDB Entry DOI: 10.7270/Q2HM5BGS |
More data for this Ligand-Target Pair | |