Found 14 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 26A1
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50401160
(CHEMBL2205778)Show SMILES CC(C)(C(c1ccc(Nc2ccc(cc2)C(O)=O)cc1)n1cncn1)C(O)=O Show InChI InChI=1S/C20H20N4O4/c1-20(2,19(27)28)17(24-12-21-11-22-24)13-3-7-15(8-4-13)23-16-9-5-14(6-10-16)18(25)26/h3-12,17,23H,1-2H3,(H,25,26)(H,27,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50401162
(CHEMBL2205776)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc(cc2)C(C)=O)cc1)n1cncn1 Show InChI InChI=1S/C22H24N4O3/c1-15(27)16-5-9-18(10-6-16)25-19-11-7-17(8-12-19)20(26-14-23-13-24-26)22(2,3)21(28)29-4/h5-14,20,25H,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50401159
(CHEMBL2205779)Show SMILES CNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1 Show InChI InChI=1S/C21H24N4O/c1-21(2,20(26)22-3)19(25-14-13-23-15-25)16-9-11-18(12-10-16)24-17-7-5-4-6-8-17/h4-15,19,24H,1-3H3,(H,22,26) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50401158
(CHEMBL2205780)Show SMILES CCNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1 Show InChI InChI=1S/C22H26N4O/c1-4-24-21(27)22(2,3)20(26-15-14-23-16-26)17-10-12-19(13-11-17)25-18-8-6-5-7-9-18/h5-16,20,25H,4H2,1-3H3,(H,24,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50401157
(CHEMBL2205781)Show SMILES CNC(=O)C(C)(C)C(c1ccc(Nc2ccc(OC)cc2)cc1)n1ccnc1 Show InChI InChI=1S/C22H26N4O2/c1-22(2,21(27)23-3)20(26-14-13-24-15-26)16-5-7-17(8-6-16)25-18-9-11-19(28-4)12-10-18/h5-15,20,25H,1-4H3,(H,23,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50401155
(CHEMBL2205783)Show SMILES CNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H23N5O/c1-20(2,19(26)21-3)18(25-14-22-13-23-25)15-9-11-17(12-10-15)24-16-7-5-4-6-8-16/h4-14,18,24H,1-3H3,(H,21,26) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50401161
(CHEMBL2205777)Show InChI InChI=1S/C20H21N3O2/c1-20(2,19(24)25)18(23-13-12-21-14-23)15-8-10-17(11-9-15)22-16-6-4-3-5-7-16/h3-14,18,22H,1-2H3,(H,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50401156
(CHEMBL2205782)Show SMILES CNC(=O)C(C)(C)C(c1ccc(Nc2ccc(Cl)cc2)cc1)n1ccnc1 Show InChI InChI=1S/C21H23ClN4O/c1-21(2,20(27)23-3)19(26-13-12-24-14-26)15-4-8-17(9-5-15)25-18-10-6-16(22)7-11-18/h4-14,19,25H,1-3H3,(H,23,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | 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 | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | 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 | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | 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 | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this
Ligand-Target Pair | |
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