Found 4 hits for monomerid = 50432235 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 2C9
(Homo sapiens (Human)) | BDBM50432235
(CHEMBL2347323)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Br)[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r| Show InChI InChI=1S/C20H24BrN7O3/c1-11(2)15(24-20(30)31-3)19(29)28-10-4-5-14(28)18-23-16(17(21)25-18)12-6-8-13(9-7-12)26-27-22/h6-9,11,14-15H,4-5,10H2,1-3H3,(H,23,25)(H,24,30)/t14-,15-/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 | 5.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 23: 2031-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.023
BindingDB Entry DOI: 10.7270/Q2833TDK |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50432235
(CHEMBL2347323)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Br)[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r| Show InChI InChI=1S/C20H24BrN7O3/c1-11(2)15(24-20(30)31-3)19(29)28-10-4-5-14(28)18-23-16(17(21)25-18)12-6-8-13(9-7-12)26-27-22/h6-9,11,14-15H,4-5,10H2,1-3H3,(H,23,25)(H,24,30)/t14-,15-/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 | 8.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
Bioorg Med Chem Lett 23: 2031-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.023
BindingDB Entry DOI: 10.7270/Q2833TDK |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50432235
(CHEMBL2347323)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Br)[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r| Show InChI InChI=1S/C20H24BrN7O3/c1-11(2)15(24-20(30)31-3)19(29)28-10-4-5-14(28)18-23-16(17(21)25-18)12-6-8-13(9-7-12)26-27-22/h6-9,11,14-15H,4-5,10H2,1-3H3,(H,23,25)(H,24,30)/t14-,15-/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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 23: 2031-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.023
BindingDB Entry DOI: 10.7270/Q2833TDK |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50432235
(CHEMBL2347323)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Br)[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r| Show InChI InChI=1S/C20H24BrN7O3/c1-11(2)15(24-20(30)31-3)19(29)28-10-4-5-14(28)18-23-16(17(21)25-18)12-6-8-13(9-7-12)26-27-22/h6-9,11,14-15H,4-5,10H2,1-3H3,(H,23,25)(H,24,30)/t14-,15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
Bioorg Med Chem Lett 23: 2031-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.023
BindingDB Entry DOI: 10.7270/Q2833TDK |
More data for this
Ligand-Target Pair | |
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