Found 2 hits for monomerid = 50448107 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 2D6
(Homo sapiens (Human)) | BDBM50448107
(CHEMBL3121798)Show SMILES C[C@H](NS(=O)(=O)c1ccc(nc1)-c1c(C#N)c2cc(F)c(C)cc2n1-c1ncccc1F)C(F)(F)F |r,wD:1.0,(62.21,-19.89,;61.43,-18.56,;59.89,-18.57,;59.13,-19.9,;59.14,-21.44,;60.47,-20.67,;57.6,-19.91,;56.81,-18.58,;55.27,-18.59,;54.52,-19.93,;55.29,-21.26,;56.83,-21.25,;52.98,-19.94,;52.07,-18.7,;52.53,-17.23,;53,-15.76,;50.6,-19.18,;49.27,-18.42,;47.94,-19.19,;46.6,-18.42,;47.94,-20.73,;46.6,-21.5,;49.27,-21.5,;50.61,-20.72,;52.08,-21.19,;52.85,-22.52,;54.38,-22.51,;55.15,-23.83,;54.38,-25.17,;52.85,-25.17,;52.08,-23.84,;50.54,-23.84,;62.2,-17.22,;63.74,-17.21,;61.42,-15.89,;62.95,-15.87,)| Show InChI InChI=1S/C23H16F5N5O2S/c1-12-8-20-15(9-18(12)25)16(10-29)21(33(20)22-17(24)4-3-7-30-22)19-6-5-14(11-31-19)36(34,35)32-13(2)23(26,27)28/h3-9,11,13,32H,1-2H3/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PTC Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes |
J Med Chem 57: 2121-35 (2014)
Article DOI: 10.1021/jm401621g BindingDB Entry DOI: 10.7270/Q2RR20RN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50448107
(CHEMBL3121798)Show SMILES C[C@H](NS(=O)(=O)c1ccc(nc1)-c1c(C#N)c2cc(F)c(C)cc2n1-c1ncccc1F)C(F)(F)F |r,wD:1.0,(62.21,-19.89,;61.43,-18.56,;59.89,-18.57,;59.13,-19.9,;59.14,-21.44,;60.47,-20.67,;57.6,-19.91,;56.81,-18.58,;55.27,-18.59,;54.52,-19.93,;55.29,-21.26,;56.83,-21.25,;52.98,-19.94,;52.07,-18.7,;52.53,-17.23,;53,-15.76,;50.6,-19.18,;49.27,-18.42,;47.94,-19.19,;46.6,-18.42,;47.94,-20.73,;46.6,-21.5,;49.27,-21.5,;50.61,-20.72,;52.08,-21.19,;52.85,-22.52,;54.38,-22.51,;55.15,-23.83,;54.38,-25.17,;52.85,-25.17,;52.08,-23.84,;50.54,-23.84,;62.2,-17.22,;63.74,-17.21,;61.42,-15.89,;62.95,-15.87,)| Show InChI InChI=1S/C23H16F5N5O2S/c1-12-8-20-15(9-18(12)25)16(10-29)21(33(20)22-17(24)4-3-7-30-22)19-6-5-14(11-31-19)36(34,35)32-13(2)23(26,27)28/h3-9,11,13,32H,1-2H3/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PTC Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
J Med Chem 57: 2121-35 (2014)
Article DOI: 10.1021/jm401621g BindingDB Entry DOI: 10.7270/Q2RR20RN |
More data for this Ligand-Target Pair | |