Found 6 hits for monomerid = 50314388 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)) | BDBM50314388
((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C2=CCN(CC2)C(C)(C)C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:8,t:13| Show InChI InChI=1S/C33H35F7N2O2/c1-19(22-13-24(32(35,36)37)17-25(14-22)33(38,39)40)44-28-18-42-27(30(28)21-5-7-26(34)8-6-21)15-23(16-29(42)43)20-9-11-41(12-10-20)31(2,3)4/h5-9,13-14,16-17,19,27-28,30H,10-12,15,18H2,1-4H3/t19-,27?,28+,30+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 2354-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.120 BindingDB Entry DOI: 10.7270/Q2JD4XR8 |
More data for this Ligand-Target Pair | |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM50314388
((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C2=CCN(CC2)C(C)(C)C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:8,t:13| Show InChI InChI=1S/C33H35F7N2O2/c1-19(22-13-24(32(35,36)37)17-25(14-22)33(38,39)40)44-28-18-42-27(30(28)21-5-7-26(34)8-6-21)15-23(16-29(42)43)20-9-11-41(12-10-20)31(2,3)4/h5-9,13-14,16-17,19,27-28,30H,10-12,15,18H2,1-4H3/t19-,27?,28+,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Induction of human PXR |
Bioorg Med Chem Lett 20: 2354-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.120 BindingDB Entry DOI: 10.7270/Q2JD4XR8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50314388
((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C2=CCN(CC2)C(C)(C)C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:8,t:13| Show InChI InChI=1S/C33H35F7N2O2/c1-19(22-13-24(32(35,36)37)17-25(14-22)33(38,39)40)44-28-18-42-27(30(28)21-5-7-26(34)8-6-21)15-23(16-29(42)43)20-9-11-41(12-10-20)31(2,3)4/h5-9,13-14,16-17,19,27-28,30H,10-12,15,18H2,1-4H3/t19-,27?,28+,30+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 2354-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.120 BindingDB Entry DOI: 10.7270/Q2JD4XR8 |
More data for this Ligand-Target Pair | |
Neurokinin 1 receptor
(Homo sapiens (Human)) | BDBM50314388
((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C2=CCN(CC2)C(C)(C)C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:8,t:13| Show InChI InChI=1S/C33H35F7N2O2/c1-19(22-13-24(32(35,36)37)17-25(14-22)33(38,39)40)44-28-18-42-27(30(28)21-5-7-26(34)8-6-21)15-23(16-29(42)43)20-9-11-41(12-10-20)31(2,3)4/h5-9,13-14,16-17,19,27-28,30H,10-12,15,18H2,1-4H3/t19-,27?,28+,30+/m1/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum |
Bioorg Med Chem Lett 20: 2354-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.120 BindingDB Entry DOI: 10.7270/Q2JD4XR8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50314388
((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C2=CCN(CC2)C(C)(C)C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:8,t:13| Show InChI InChI=1S/C33H35F7N2O2/c1-19(22-13-24(32(35,36)37)17-25(14-22)33(38,39)40)44-28-18-42-27(30(28)21-5-7-26(34)8-6-21)15-23(16-29(42)43)20-9-11-41(12-10-20)31(2,3)4/h5-9,13-14,16-17,19,27-28,30H,10-12,15,18H2,1-4H3/t19-,27?,28+,30+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 2354-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.120 BindingDB Entry DOI: 10.7270/Q2JD4XR8 |
More data for this Ligand-Target Pair | |
Neurokinin 1 receptor
(Homo sapiens (Human)) | BDBM50314388
((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)Show SMILES C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C2=CCN(CC2)C(C)(C)C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:8,t:13| Show InChI InChI=1S/C33H35F7N2O2/c1-19(22-13-24(32(35,36)37)17-25(14-22)33(38,39)40)44-28-18-42-27(30(28)21-5-7-26(34)8-6-21)15-23(16-29(42)43)20-9-11-41(12-10-20)31(2,3)4/h5-9,13-14,16-17,19,27-28,30H,10-12,15,18H2,1-4H3/t19-,27?,28+,30+/m1/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 | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 2354-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.120 BindingDB Entry DOI: 10.7270/Q2JD4XR8 |
More data for this Ligand-Target Pair | |