Found 5 hits for monomerid = 50022080 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)) | BDBM50022080
(CHEMBL3298837)Show SMILES CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H27ClF3N5O2/c1-2-24-26(37-12-11-20(29)17-25(37)34-24)27(38)33-18-19-3-5-21(6-4-19)35-13-15-36(16-14-35)22-7-9-23(10-8-22)39-28(30,31)32/h3-12,17H,2,13-16,18H2,1H3,(H,33,38) | 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 | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur Korea
Curated by ChEMBL
| Assay Description Inhibition of recombinant CYP3A4 (unknown origin) by LC/MS/MS analysis |
J Med Chem 57: 5293-305 (2014)
Article DOI: 10.1021/jm5003606 BindingDB Entry DOI: 10.7270/Q2WS8VTR |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50022080
(CHEMBL3298837)Show SMILES CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H27ClF3N5O2/c1-2-24-26(37-12-11-20(29)17-25(37)34-24)27(38)33-18-19-3-5-21(6-4-19)35-13-15-36(16-14-35)22-7-9-23(10-8-22)39-28(30,31)32/h3-12,17H,2,13-16,18H2,1H3,(H,33,38) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur Korea
Curated by ChEMBL
| Assay Description Inhibition of recombinant CYP2D6 (unknown origin) by LC/MS/MS analysis |
J Med Chem 57: 5293-305 (2014)
Article DOI: 10.1021/jm5003606 BindingDB Entry DOI: 10.7270/Q2WS8VTR |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50022080
(CHEMBL3298837)Show SMILES CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H27ClF3N5O2/c1-2-24-26(37-12-11-20(29)17-25(37)34-24)27(38)33-18-19-3-5-21(6-4-19)35-13-15-36(16-14-35)22-7-9-23(10-8-22)39-28(30,31)32/h3-12,17H,2,13-16,18H2,1H3,(H,33,38) | 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 | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur Korea
Curated by ChEMBL
| Assay Description Inhibition of recombinant CYP2C19 (unknown origin) by LC/MS/MS analysis |
J Med Chem 57: 5293-305 (2014)
Article DOI: 10.1021/jm5003606 BindingDB Entry DOI: 10.7270/Q2WS8VTR |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50022080
(CHEMBL3298837)Show SMILES CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H27ClF3N5O2/c1-2-24-26(37-12-11-20(29)17-25(37)34-24)27(38)33-18-19-3-5-21(6-4-19)35-13-15-36(16-14-35)22-7-9-23(10-8-22)39-28(30,31)32/h3-12,17H,2,13-16,18H2,1H3,(H,33,38) | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur Korea
Curated by ChEMBL
| Assay Description Inhibition of recombinant CYP2C9 (unknown origin) by LC/MS/MS analysis |
J Med Chem 57: 5293-305 (2014)
Article DOI: 10.1021/jm5003606 BindingDB Entry DOI: 10.7270/Q2WS8VTR |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50022080
(CHEMBL3298837)Show SMILES CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H27ClF3N5O2/c1-2-24-26(37-12-11-20(29)17-25(37)34-24)27(38)33-18-19-3-5-21(6-4-19)35-13-15-36(16-14-35)22-7-9-23(10-8-22)39-28(30,31)32/h3-12,17H,2,13-16,18H2,1H3,(H,33,38) | 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 | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur Korea
Curated by ChEMBL
| Assay Description Inhibition of recombinant CYP1A2 (unknown origin) by LC/MS/MS analysis |
J Med Chem 57: 5293-305 (2014)
Article DOI: 10.1021/jm5003606 BindingDB Entry DOI: 10.7270/Q2WS8VTR |
More data for this Ligand-Target Pair | |