Found 6 hits for monomerid = 50026258 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 |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50026258
(CHEMBL3359022)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccncc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30)/t12-,13-,14+ | 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 | 0.179 | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p... |
J Med Chem 57: 7731-57 (2014)
Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT |
More data for this Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50026258
(CHEMBL3359022)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccncc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30)/t12-,13-,14+ | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description Displacement of [3H]retinol from biotinylated human RBP4 by scintillation proximity assay |
J Med Chem 57: 7731-57 (2014)
Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50026258
(CHEMBL3359022)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccncc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30)/t12-,13-,14+ | 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 | <46 | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
J Med Chem 57: 7731-57 (2014)
Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50026258
(CHEMBL3359022)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccncc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30)/t12-,13-,14+ | 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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 7731-57 (2014)
Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50026258
(CHEMBL3359022)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccncc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30)/t12-,13-,14+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 57: 7731-57 (2014)
Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50026258
(CHEMBL3359022)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccncc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30)/t12-,13-,14+ | 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 | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 7731-57 (2014)
Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT |
More data for this Ligand-Target Pair | |