Found 7 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 2D6
(Homo sapiens (Human)) | BDBM50236004
(CHEMBL4101809)Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
FORUM Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 60: 2383-2400 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01620
BindingDB Entry DOI: 10.7270/Q2WD42TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50236004
(CHEMBL4101809)Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
FORUM Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 60: 2383-2400 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01620
BindingDB Entry DOI: 10.7270/Q2WD42TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50236004
(CHEMBL4101809)Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/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 | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
FORUM Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 60: 2383-2400 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01620
BindingDB Entry DOI: 10.7270/Q2WD42TX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50236004
(CHEMBL4101809)Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/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 | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
FORUM Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
J Med Chem 60: 2383-2400 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01620
BindingDB Entry DOI: 10.7270/Q2WD42TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50236004
(CHEMBL4101809)Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/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 | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
FORUM Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 60: 2383-2400 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01620
BindingDB Entry DOI: 10.7270/Q2WD42TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50236004
(CHEMBL4101809)Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/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 | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
FORUM Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 60: 2383-2400 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01620
BindingDB Entry DOI: 10.7270/Q2WD42TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50236004
(CHEMBL4101809)Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
FORUM Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
J Med Chem 60: 2383-2400 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01620
BindingDB Entry DOI: 10.7270/Q2WD42TX |
More data for this
Ligand-Target Pair | |
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