Found 4 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50433932
(CHEMBL2380735)Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(C)=O)S(=O)(=O)c1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C24H25N3O6S/c1-3-18(22(29)24-26-19-11-7-8-12-21(19)33-24)25-23(30)20-13-17(14-27(20)15(2)28)34(31,32)16-9-5-4-6-10-16/h4-12,17-18,20H,3,13-14H2,1-2H3,(H,25,30)/t17-,18+,20+/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 | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hanmi Research Center
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) by fluorescence detection method |
Bioorg Med Chem Lett 23: 3140-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.023
BindingDB Entry DOI: 10.7270/Q2HX1F1S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50433932
(CHEMBL2380735)Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(C)=O)S(=O)(=O)c1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C24H25N3O6S/c1-3-18(22(29)24-26-19-11-7-8-12-21(19)33-24)25-23(30)20-13-17(14-27(20)15(2)28)34(31,32)16-9-5-4-6-10-16/h4-12,17-18,20H,3,13-14H2,1-2H3,(H,25,30)/t17-,18+,20+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hanmi Research Center
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence detection method |
Bioorg Med Chem Lett 23: 3140-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.023
BindingDB Entry DOI: 10.7270/Q2HX1F1S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50433932
(CHEMBL2380735)Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(C)=O)S(=O)(=O)c1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C24H25N3O6S/c1-3-18(22(29)24-26-19-11-7-8-12-21(19)33-24)25-23(30)20-13-17(14-27(20)15(2)28)34(31,32)16-9-5-4-6-10-16/h4-12,17-18,20H,3,13-14H2,1-2H3,(H,25,30)/t17-,18+,20+/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hanmi Research Center
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) by fluorescence detection method |
Bioorg Med Chem Lett 23: 3140-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.023
BindingDB Entry DOI: 10.7270/Q2HX1F1S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50433932
(CHEMBL2380735)Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(C)=O)S(=O)(=O)c1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C24H25N3O6S/c1-3-18(22(29)24-26-19-11-7-8-12-21(19)33-24)25-23(30)20-13-17(14-27(20)15(2)28)34(31,32)16-9-5-4-6-10-16/h4-12,17-18,20H,3,13-14H2,1-2H3,(H,25,30)/t17-,18+,20+/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hanmi Research Center
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) by fluorescence detection method |
Bioorg Med Chem Lett 23: 3140-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.023
BindingDB Entry DOI: 10.7270/Q2HX1F1S |
More data for this
Ligand-Target Pair | |
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