Found 25 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 3A4
(Homo sapiens (Human)) | BDBM50335525
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O3/c1-21(5-3-2-4-16)6-9-11(23)12(24)15(25-9)22-8-20-10-13(17)18-7-19-14(10)22/h2-3,7-9,11-12,15,23-24H,4-6,16H2,1H3,(H2,17,18,19)/b3-2-/t9-,11-,12-,15-/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 |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 3A4 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50335526
((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22FN7O2/c1-22(5-3-2-4-17)6-9-12(24)10(16)15(25-9)23-8-21-11-13(18)19-7-20-14(11)23/h2-3,7-10,12,15,24H,4-6,17H2,1H3,(H2,18,19,20)/b3-2-/t9-,10-,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2C9 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50335525
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O3/c1-21(5-3-2-4-16)6-9-11(23)12(24)15(25-9)22-8-20-10-13(17)18-7-19-14(10)22/h2-3,7-9,11-12,15,23-24H,4-6,16H2,1H3,(H2,17,18,19)/b3-2-/t9-,11-,12-,15-/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 |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2C9 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50335527
((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22FN7O2/c1-22(5-3-2-4-17)6-9-12(24)10(16)15(25-9)23-8-21-11-13(18)19-7-20-14(11)23/h2-3,7-10,12,15,24H,4-6,17H2,1H3,(H2,18,19,20)/b3-2-/t9-,10+,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2C19 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50335528
((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H22ClN7O3/c1-22(5-3-2-4-17)6-8-10(24)11(25)14(26-8)23-7-19-9-12(18)20-15(16)21-13(9)23/h2-3,7-8,10-11,14,24-25H,4-6,17H2,1H3,(H2,18,20,21)/b3-2-/t8-,10-,11-,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2D6 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50335528
((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H22ClN7O3/c1-22(5-3-2-4-17)6-8-10(24)11(25)14(26-8)23-7-19-9-12(18)20-15(16)21-13(9)23/h2-3,7-8,10-11,14,24-25H,4-6,17H2,1H3,(H2,18,20,21)/b3-2-/t8-,10-,11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2C19 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50335525
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O3/c1-21(5-3-2-4-16)6-9-11(23)12(24)15(25-9)22-8-20-10-13(17)18-7-19-14(10)22/h2-3,7-9,11-12,15,23-24H,4-6,16H2,1H3,(H2,17,18,19)/b3-2-/t9-,11-,12-,15-/m1/s1 | PDB
UniProtKB/SwissProt
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 |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2D6 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50335526
((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22FN7O2/c1-22(5-3-2-4-17)6-9-12(24)10(16)15(25-9)23-8-21-11-13(18)19-7-20-14(11)23/h2-3,7-10,12,15,24H,4-6,17H2,1H3,(H2,18,19,20)/b3-2-/t9-,10-,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 1A2 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335528
((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H22ClN7O3/c1-22(5-3-2-4-17)6-8-10(24)11(25)14(26-8)23-7-19-9-12(18)20-15(16)21-13(9)23/h2-3,7-8,10-11,14,24-25H,4-6,17H2,1H3,(H2,18,20,21)/b3-2-/t8-,10-,11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 3A4 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50335529
((2R,3R,4S,5R)-2-(6-amino-2-methyl-9H-purin-9-yl)-5...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(C)nc12 |r| Show InChI InChI=1S/C16H25N7O3/c1-9-20-14(18)11-15(21-9)23(8-19-11)16-13(25)12(24)10(26-16)7-22(2)6-4-3-5-17/h3-4,8,10,12-13,16,24-25H,5-7,17H2,1-2H3,(H2,18,20,21)/b4-3-/t10-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2C9 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50335525
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O3/c1-21(5-3-2-4-16)6-9-11(23)12(24)15(25-9)22-8-20-10-13(17)18-7-19-14(10)22/h2-3,7-9,11-12,15,23-24H,4-6,16H2,1H3,(H2,17,18,19)/b3-2-/t9-,11-,12-,15-/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 |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2C19 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50335525
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O3/c1-21(5-3-2-4-16)6-9-11(23)12(24)15(25-9)22-8-20-10-13(17)18-7-19-14(10)22/h2-3,7-9,11-12,15,23-24H,4-6,16H2,1H3,(H2,17,18,19)/b3-2-/t9-,11-,12-,15-/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 |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 1A2 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50335526
((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22FN7O2/c1-22(5-3-2-4-17)6-9-12(24)10(16)15(25-9)23-8-21-11-13(18)19-7-20-14(11)23/h2-3,7-10,12,15,24H,4-6,17H2,1H3,(H2,18,19,20)/b3-2-/t9-,10-,12-,15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2D6 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50335526
((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22FN7O2/c1-22(5-3-2-4-17)6-9-12(24)10(16)15(25-9)23-8-21-11-13(18)19-7-20-14(11)23/h2-3,7-10,12,15,24H,4-6,17H2,1H3,(H2,18,19,20)/b3-2-/t9-,10-,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2C19 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50335527
((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22FN7O2/c1-22(5-3-2-4-17)6-9-12(24)10(16)15(25-9)23-8-21-11-13(18)19-7-20-14(11)23/h2-3,7-10,12,15,24H,4-6,17H2,1H3,(H2,18,19,20)/b3-2-/t9-,10+,12-,15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2D6 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50335527
((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22FN7O2/c1-22(5-3-2-4-17)6-9-12(24)10(16)15(25-9)23-8-21-11-13(18)19-7-20-14(11)23/h2-3,7-10,12,15,24H,4-6,17H2,1H3,(H2,18,19,20)/b3-2-/t9-,10+,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 1A2 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50335529
((2R,3R,4S,5R)-2-(6-amino-2-methyl-9H-purin-9-yl)-5...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(C)nc12 |r| Show InChI InChI=1S/C16H25N7O3/c1-9-20-14(18)11-15(21-9)23(8-19-11)16-13(25)12(24)10(26-16)7-22(2)6-4-3-5-17/h3-4,8,10,12-13,16,24-25H,5-7,17H2,1-2H3,(H2,18,20,21)/b4-3-/t10-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2C19 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335527
((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22FN7O2/c1-22(5-3-2-4-17)6-9-12(24)10(16)15(25-9)23-8-21-11-13(18)19-7-20-14(11)23/h2-3,7-10,12,15,24H,4-6,17H2,1H3,(H2,18,19,20)/b3-2-/t9-,10+,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 3A4 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50335527
((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22FN7O2/c1-22(5-3-2-4-17)6-9-12(24)10(16)15(25-9)23-8-21-11-13(18)19-7-20-14(11)23/h2-3,7-10,12,15,24H,4-6,17H2,1H3,(H2,18,19,20)/b3-2-/t9-,10+,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2C9 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50335528
((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H22ClN7O3/c1-22(5-3-2-4-17)6-8-10(24)11(25)14(26-8)23-7-19-9-12(18)20-15(16)21-13(9)23/h2-3,7-8,10-11,14,24-25H,4-6,17H2,1H3,(H2,18,20,21)/b3-2-/t8-,10-,11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2C9 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50335528
((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H22ClN7O3/c1-22(5-3-2-4-17)6-8-10(24)11(25)14(26-8)23-7-19-9-12(18)20-15(16)21-13(9)23/h2-3,7-8,10-11,14,24-25H,4-6,17H2,1H3,(H2,18,20,21)/b3-2-/t8-,10-,11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 1A2 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335529
((2R,3R,4S,5R)-2-(6-amino-2-methyl-9H-purin-9-yl)-5...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(C)nc12 |r| Show InChI InChI=1S/C16H25N7O3/c1-9-20-14(18)11-15(21-9)23(8-19-11)16-13(25)12(24)10(26-16)7-22(2)6-4-3-5-17/h3-4,8,10,12-13,16,24-25H,5-7,17H2,1-2H3,(H2,18,20,21)/b4-3-/t10-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 3A4 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50335529
((2R,3R,4S,5R)-2-(6-amino-2-methyl-9H-purin-9-yl)-5...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(C)nc12 |r| Show InChI InChI=1S/C16H25N7O3/c1-9-20-14(18)11-15(21-9)23(8-19-11)16-13(25)12(24)10(26-16)7-22(2)6-4-3-5-17/h3-4,8,10,12-13,16,24-25H,5-7,17H2,1-2H3,(H2,18,20,21)/b4-3-/t10-,12-,13-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 2D6 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335526
((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22FN7O2/c1-22(5-3-2-4-17)6-9-12(24)10(16)15(25-9)23-8-21-11-13(18)19-7-20-14(11)23/h2-3,7-10,12,15,24H,4-6,17H2,1H3,(H2,18,19,20)/b3-2-/t9-,10-,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 3A4 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50335529
((2R,3R,4S,5R)-2-(6-amino-2-methyl-9H-purin-9-yl)-5...)Show SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(C)nc12 |r| Show InChI InChI=1S/C16H25N7O3/c1-9-20-14(18)11-15(21-9)23(8-19-11)16-13(25)12(24)10(26-16)7-22(2)6-4-3-5-17/h3-4,8,10,12-13,16,24-25H,5-7,17H2,1-2H3,(H2,18,20,21)/b4-3-/t10-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human cytochrome P450 1A2 |
Antimicrob Agents Chemother 53: 2052-8 (2009)
Article DOI: 10.1128/AAC.01674-08
BindingDB Entry DOI: 10.7270/Q20C4W14 |
More data for this
Ligand-Target Pair | |
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