Found 23 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)) | BDBM50499991
(CHEMBL3742347)Show SMILES [O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C(=O)N1CCCCC1)C(F)(F)F Show InChI InChI=1S/C14H12F3N3O4S/c15-14(16,17)8-6-9-11(10(7-8)20(23)24)25-13(19(9)22)12(21)18-4-2-1-3-5-18/h6-7H,1-5H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50499992
(CHEMBL3739863)Show SMILES [O-][N+](=O)c1cc(cc2nc(sc12)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:14| Show InChI InChI=1S/C16H13F3N4O4S/c17-16(18,19)8-5-9-12(11(6-8)23(25)26)28-14(21-9)13-20-10(7-27-13)15(24)22-3-1-2-4-22/h5-6,10H,1-4,7H2/t10-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50499991
(CHEMBL3742347)Show SMILES [O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C(=O)N1CCCCC1)C(F)(F)F Show InChI InChI=1S/C14H12F3N3O4S/c15-14(16,17)8-6-9-11(10(7-8)20(23)24)25-13(19(9)22)12(21)18-4-2-1-3-5-18/h6-7H,1-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50499993
(CHEMBL3742122)Show SMILES COCCN1CCN(CC1)C(=O)c1nc2cc(cc([N+]([O-])=O)c2s1)C(F)(F)F Show InChI InChI=1S/C16H17F3N4O4S/c1-27-7-6-21-2-4-22(5-3-21)15(24)14-20-11-8-10(16(17,18)19)9-12(23(25)26)13(11)28-14/h8-9H,2-7H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50499994
(CHEMBL3741545)Show SMILES COCCN1CCN(CC1)C(=O)c1nc2cc(c(C)c([N+]([O-])=O)c2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O4S/c1-10-11(17(18,19)20)9-12-14(13(10)24(26)27)29-15(21-12)16(25)23-5-3-22(4-6-23)7-8-28-2/h9H,3-8H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 9.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50499992
(CHEMBL3739863)Show SMILES [O-][N+](=O)c1cc(cc2nc(sc12)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:14| Show InChI InChI=1S/C16H13F3N4O4S/c17-16(18,19)8-5-9-12(11(6-8)23(25)26)28-14(21-9)13-20-10(7-27-13)15(24)22-3-1-2-4-22/h5-6,10H,1-4,7H2/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50499991
(CHEMBL3742347)Show SMILES [O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C(=O)N1CCCCC1)C(F)(F)F Show InChI InChI=1S/C14H12F3N3O4S/c15-14(16,17)8-6-9-11(10(7-8)20(23)24)25-13(19(9)22)12(21)18-4-2-1-3-5-18/h6-7H,1-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50499991
(CHEMBL3742347)Show SMILES [O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C(=O)N1CCCCC1)C(F)(F)F Show InChI InChI=1S/C14H12F3N3O4S/c15-14(16,17)8-6-9-11(10(7-8)20(23)24)25-13(19(9)22)12(21)18-4-2-1-3-5-18/h6-7H,1-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50499993
(CHEMBL3742122)Show SMILES COCCN1CCN(CC1)C(=O)c1nc2cc(cc([N+]([O-])=O)c2s1)C(F)(F)F Show InChI InChI=1S/C16H17F3N4O4S/c1-27-7-6-21-2-4-22(5-3-21)15(24)14-20-11-8-10(16(17,18)19)9-12(23(25)26)13(11)28-14/h8-9H,2-7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50499992
(CHEMBL3739863)Show SMILES [O-][N+](=O)c1cc(cc2nc(sc12)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:14| Show InChI InChI=1S/C16H13F3N4O4S/c17-16(18,19)8-5-9-12(11(6-8)23(25)26)28-14(21-9)13-20-10(7-27-13)15(24)22-3-1-2-4-22/h5-6,10H,1-4,7H2/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50499993
(CHEMBL3742122)Show SMILES COCCN1CCN(CC1)C(=O)c1nc2cc(cc([N+]([O-])=O)c2s1)C(F)(F)F Show InChI InChI=1S/C16H17F3N4O4S/c1-27-7-6-21-2-4-22(5-3-21)15(24)14-20-11-8-10(16(17,18)19)9-12(23(25)26)13(11)28-14/h8-9H,2-7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50499995
(CHEMBL3739831)Show SMILES Cc1c(cc2nc(sc2c1[N+]([O-])=O)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:15| Show InChI InChI=1S/C17H15F3N4O4S/c1-8-9(17(18,19)20)6-10-13(12(8)24(26)27)29-15(22-10)14-21-11(7-28-14)16(25)23-4-2-3-5-23/h6,11H,2-5,7H2,1H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50499992
(CHEMBL3739863)Show SMILES [O-][N+](=O)c1cc(cc2nc(sc12)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:14| Show InChI InChI=1S/C16H13F3N4O4S/c17-16(18,19)8-5-9-12(11(6-8)23(25)26)28-14(21-9)13-20-10(7-27-13)15(24)22-3-1-2-4-22/h5-6,10H,1-4,7H2/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50499991
(CHEMBL3742347)Show SMILES [O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C(=O)N1CCCCC1)C(F)(F)F Show InChI InChI=1S/C14H12F3N3O4S/c15-14(16,17)8-6-9-11(10(7-8)20(23)24)25-13(19(9)22)12(21)18-4-2-1-3-5-18/h6-7H,1-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50499992
(CHEMBL3739863)Show SMILES [O-][N+](=O)c1cc(cc2nc(sc12)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:14| Show InChI InChI=1S/C16H13F3N4O4S/c17-16(18,19)8-5-9-12(11(6-8)23(25)26)28-14(21-9)13-20-10(7-27-13)15(24)22-3-1-2-4-22/h5-6,10H,1-4,7H2/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50499993
(CHEMBL3742122)Show SMILES COCCN1CCN(CC1)C(=O)c1nc2cc(cc([N+]([O-])=O)c2s1)C(F)(F)F Show InChI InChI=1S/C16H17F3N4O4S/c1-27-7-6-21-2-4-22(5-3-21)15(24)14-20-11-8-10(16(17,18)19)9-12(23(25)26)13(11)28-14/h8-9H,2-7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50499994
(CHEMBL3741545)Show SMILES COCCN1CCN(CC1)C(=O)c1nc2cc(c(C)c([N+]([O-])=O)c2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O4S/c1-10-11(17(18,19)20)9-12-14(13(10)24(26)27)29-15(21-12)16(25)23-5-3-22(4-6-23)7-8-28-2/h9H,3-8H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 5.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50499994
(CHEMBL3741545)Show SMILES COCCN1CCN(CC1)C(=O)c1nc2cc(c(C)c([N+]([O-])=O)c2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O4S/c1-10-11(17(18,19)20)9-12-14(13(10)24(26)27)29-15(21-12)16(25)23-5-3-22(4-6-23)7-8-28-2/h9H,3-8H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50499995
(CHEMBL3739831)Show SMILES Cc1c(cc2nc(sc2c1[N+]([O-])=O)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:15| Show InChI InChI=1S/C17H15F3N4O4S/c1-8-9(17(18,19)20)6-10-13(12(8)24(26)27)29-15(22-10)14-21-11(7-28-14)16(25)23-4-2-3-5-23/h6,11H,2-5,7H2,1H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50499994
(CHEMBL3741545)Show SMILES COCCN1CCN(CC1)C(=O)c1nc2cc(c(C)c([N+]([O-])=O)c2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O4S/c1-10-11(17(18,19)20)9-12-14(13(10)24(26)27)29-15(21-12)16(25)23-5-3-22(4-6-23)7-8-28-2/h9H,3-8H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50499995
(CHEMBL3739831)Show SMILES Cc1c(cc2nc(sc2c1[N+]([O-])=O)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:15| Show InChI InChI=1S/C17H15F3N4O4S/c1-8-9(17(18,19)20)6-10-13(12(8)24(26)27)29-15(22-10)14-21-11(7-28-14)16(25)23-4-2-3-5-23/h6,11H,2-5,7H2,1H3/t11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50499995
(CHEMBL3739831)Show SMILES Cc1c(cc2nc(sc2c1[N+]([O-])=O)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:15| Show InChI InChI=1S/C17H15F3N4O4S/c1-8-9(17(18,19)20)6-10-13(12(8)24(26)27)29-15(22-10)14-21-11(7-28-14)16(25)23-4-2-3-5-23/h6,11H,2-5,7H2,1H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50499995
(CHEMBL3739831)Show SMILES Cc1c(cc2nc(sc2c1[N+]([O-])=O)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:15| Show InChI InChI=1S/C17H15F3N4O4S/c1-8-9(17(18,19)20)6-10-13(12(8)24(26)27)29-15(22-10)14-21-11(7-28-14)16(25)23-4-2-3-5-23/h6,11H,2-5,7H2,1H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 by fluorescence assay |
Bioorg Med Chem 23: 7694-710 (2015)
Article DOI: 10.1016/j.bmc.2015.11.017
BindingDB Entry DOI: 10.7270/Q2PR800F |
More data for this
Ligand-Target Pair | |
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