BDBM292016 US10100030, Example 11
SMILES: C[C@H](C1CCN(CC1)c1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(n1)C#N)C(O)=O
InChI Key: InChIKey=LXMAOJWNEOEBSU-LJQANCHMSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM292016 (US10100030, Example 11) | 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 | 4.90E+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 US10100030 (2018) BindingDB Entry DOI: 10.7270/Q2W95C7C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM292016 (US10100030, Example 11) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.32 | n/a | n/a | n/a | n/a | 7.4 | 60 |
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 uL/well. DMSO solutions of a ... | US Patent US10100030 (2018) BindingDB Entry DOI: 10.7270/Q2W95C7C | |||||||||||
More data for this Ligand-Target Pair |