Found 73 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 2C19
(Homo sapiens (Human)) | BDBM50389657
(CHEMBL2069803)Show InChI InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50389656
(CHEMBL2069804)Show InChI InChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h6-10H,1-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50389659
(CHEMBL2069801)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-19-14(20-24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50389658
(CHEMBL2069802)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-20-19-14(24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50389659
(CHEMBL2069801)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-19-14(20-24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50389657
(CHEMBL2069803)Show InChI InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 coexpressed in Escherichia coli using phenacetin as probe |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50389658
(CHEMBL2069802)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-20-19-14(24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389668
(CHEMBL2069928)Show SMILES C1CN2CCC1C(C2)c1nc(no1)-c1ccc(o1)-c1cccnc1 |THB:8:6:1.0:3.4,(29.34,1.99,;29.39,3.56,;30.7,2.53,;29.94,.55,;30.14,-.76,;30.63,.99,;32.38,1.3,;32.52,2.84,;33.52,.26,;35.03,.57,;35.79,-.77,;34.75,-1.91,;33.34,-1.27,;37.32,-.94,;38.08,-2.28,;39.58,-1.98,;39.76,-.45,;38.36,.19,;41.1,.31,;42.42,-.47,;43.76,.29,;43.78,1.83,;42.44,2.61,;41.11,1.85,)| Show InChI InChI=1S/C18H18N4O2/c1-2-13(10-19-7-1)15-3-4-16(23-15)17-20-18(24-21-17)14-11-22-8-5-12(14)6-9-22/h1-4,7,10,12,14H,5-6,8-9,11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50389659
(CHEMBL2069801)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-19-14(20-24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50389658
(CHEMBL2069802)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-20-19-14(24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50389657
(CHEMBL2069803)Show InChI InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50389657
(CHEMBL2069803)Show InChI InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50389653
(CHEMBL2069921)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-20(22-25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389666
(CHEMBL2069926)Show SMILES C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1noc(n1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H15ClN6O2/c1-11(15-21-17(27-24-15)13-4-3-5-14(19)10-13)26-18-23-22-16(25(18)2)12-6-8-20-9-7-12/h3-11H,1-2H3/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389653
(CHEMBL2069921)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-20(22-25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389664
(CHEMBL2069924)Show SMILES C(N1CCN(Cc2nc3ccccc3s2)CC1)c1nc(no1)-c1ccccc1 Show InChI InChI=1S/C21H21N5OS/c1-2-6-16(7-3-1)21-23-19(27-24-21)14-25-10-12-26(13-11-25)15-20-22-17-8-4-5-9-18(17)28-20/h1-9H,10-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50389660
(CHEMBL2069799)Show SMILES Clc1cc(ccn1)-c1nc(CSc2nnc(-c3ccncc3)n2C2CC2)no1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-22-15(25-27-17)10-28-18-24-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50389659
(CHEMBL2069801)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-19-14(20-24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389672
(CHEMBL1716297)Show InChI InChI=1S/C16H19ClN4O3/c1-2-23-16(22)21-8-6-20(7-9-21)11-14-18-15(19-24-14)12-4-3-5-13(17)10-12/h3-5,10H,2,6-9,11H2,1H3 | PDB
MMDB
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50389657
(CHEMBL2069803)Show InChI InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50389656
(CHEMBL2069804)Show InChI InChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h6-10H,1-5H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50389652
(CHEMBL1504335)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-22-20(25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50389652
(CHEMBL1504335)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-22-20(25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50389654
(CHEMBL2069806)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-19-18-14(23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 coexpressed in Escherichia coli using phenacetin as probe |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50389660
(CHEMBL2069799)Show SMILES Clc1cc(ccn1)-c1nc(CSc2nnc(-c3ccncc3)n2C2CC2)no1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-22-15(25-27-17)10-28-18-24-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 coexpressed in Escherichia coli using phenacetin as probe |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50389654
(CHEMBL2069806)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-19-18-14(23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50389658
(CHEMBL2069802)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-20-19-14(24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50389661
(CHEMBL2069800)Show SMILES Clc1cc(ccn1)-c1nnc(CSc2nnc(-c3ccncc3)n2C2CC2)o1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-24-22-15(27-17)10-28-18-25-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50389658
(CHEMBL2069802)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-20-19-14(24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50389653
(CHEMBL2069921)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-20(22-25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 coexpressed in Escherichia coli using phenacetin as probe |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50389655
(CHEMBL2069805)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-18-14(19-23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 coexpressed in Escherichia coli using phenacetin as probe |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50389661
(CHEMBL2069800)Show SMILES Clc1cc(ccn1)-c1nnc(CSc2nnc(-c3ccncc3)n2C2CC2)o1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-24-22-15(27-17)10-28-18-25-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50389660
(CHEMBL2069799)Show SMILES Clc1cc(ccn1)-c1nc(CSc2nnc(-c3ccncc3)n2C2CC2)no1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-22-15(25-27-17)10-28-18-24-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50389652
(CHEMBL1504335)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-22-20(25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50389655
(CHEMBL2069805)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-18-14(19-23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50389660
(CHEMBL2069799)Show SMILES Clc1cc(ccn1)-c1nc(CSc2nnc(-c3ccncc3)n2C2CC2)no1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-22-15(25-27-17)10-28-18-24-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50389652
(CHEMBL1504335)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-22-20(25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50389661
(CHEMBL2069800)Show SMILES Clc1cc(ccn1)-c1nnc(CSc2nnc(-c3ccncc3)n2C2CC2)o1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-24-22-15(27-17)10-28-18-25-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50389661
(CHEMBL2069800)Show SMILES Clc1cc(ccn1)-c1nnc(CSc2nnc(-c3ccncc3)n2C2CC2)o1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-24-22-15(27-17)10-28-18-25-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 coexpressed in Escherichia coli using phenacetin as probe |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50389656
(CHEMBL2069804)Show InChI InChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h6-10H,1-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50389661
(CHEMBL2069800)Show SMILES Clc1cc(ccn1)-c1nnc(CSc2nnc(-c3ccncc3)n2C2CC2)o1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-24-22-15(27-17)10-28-18-25-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50389654
(CHEMBL2069806)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-19-18-14(23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50389660
(CHEMBL2069799)Show SMILES Clc1cc(ccn1)-c1nc(CSc2nnc(-c3ccncc3)n2C2CC2)no1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-22-15(25-27-17)10-28-18-24-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50389656
(CHEMBL2069804)Show InChI InChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h6-10H,1-5H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50389654
(CHEMBL2069806)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-19-18-14(23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50389659
(CHEMBL2069801)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-19-14(20-24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
MMDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 coexpressed in Escherichia coli using phenacetin as probe |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50389655
(CHEMBL2069805)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-18-14(19-23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
MMDB
Reactome pathway
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50389654
(CHEMBL2069806)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-19-18-14(23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
MMDB
Reactome pathway
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50389661
(CHEMBL2069800)Show SMILES Clc1cc(ccn1)-c1nnc(CSc2nnc(-c3ccncc3)n2C2CC2)o1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-24-22-15(27-17)10-28-18-25-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
MMDB
Reactome pathway
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UniChem
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50389659
(CHEMBL2069801)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-19-14(20-24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50389655
(CHEMBL2069805)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-18-14(19-23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
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| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50389654
(CHEMBL2069806)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-19-18-14(23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
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UniChem
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50389655
(CHEMBL2069805)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-18-14(19-23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50389653
(CHEMBL2069921)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-20(22-25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50389652
(CHEMBL1504335)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-22-20(25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 coexpressed in Escherichia coli using phenacetin as probe |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50389656
(CHEMBL2069804)Show InChI InChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h6-10H,1-5H2 | PDB
MMDB
Reactome pathway
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PC cid
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UniChem
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 coexpressed in Escherichia coli using phenacetin as probe |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50389658
(CHEMBL2069802)Show InChI InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-20-19-14(24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21) | PDB
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UniChem
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 coexpressed in Escherichia coli using phenacetin as probe |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50389652
(CHEMBL1504335)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-22-20(25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
MMDB
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UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50389653
(CHEMBL2069921)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-20(22-25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
MMDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50389653
(CHEMBL2069921)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-20(22-25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50389655
(CHEMBL2069805)Show InChI InChI=1S/C16H19N3O4S/c20-15(17-12-7-3-1-4-8-12)16-18-14(19-23-16)11-24(21,22)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,20) | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50389657
(CHEMBL2069803)Show InChI InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50389660
(CHEMBL2069799)Show SMILES Clc1cc(ccn1)-c1nc(CSc2nnc(-c3ccncc3)n2C2CC2)no1 Show InChI InChI=1S/C18H14ClN7OS/c19-14-9-12(5-8-21-14)17-22-15(25-27-17)10-28-18-24-23-16(26(18)13-1-2-13)11-3-6-20-7-4-11/h3-9,13H,1-2,10H2 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50389656
(CHEMBL2069804)Show InChI InChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h6-10H,1-5H2 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 coexpressed in Escherichia coli |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389669
(CHEMBL2069929)Show SMILES C1CN2CCC1C(C2)c1nnc(o1)-c1ccc(o1)-c1cccnc1 |THB:8:6:1.0:3.4,(-8.86,-9.77,;-8.8,-8.2,;-7.49,-9.23,;-8.25,-11.21,;-8.05,-12.51,;-7.56,-10.77,;-5.81,-10.45,;-5.67,-8.92,;-4.68,-11.49,;-4.85,-13.02,;-3.45,-13.66,;-2.41,-12.53,;-3.17,-11.19,;-.88,-12.7,;-.12,-14.04,;1.39,-13.73,;1.56,-12.2,;.16,-11.56,;2.9,-11.44,;4.23,-12.23,;5.57,-11.47,;5.58,-9.93,;4.25,-9.15,;2.91,-9.91,)| Show InChI InChI=1S/C18H18N4O2/c1-2-13(10-19-7-1)15-3-4-16(23-15)18-21-20-17(24-18)14-11-22-8-5-12(14)6-9-22/h1-4,7,10,12,14H,5-6,8-9,11H2 | PDB
MMDB
Reactome pathway
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UniChem
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| n/a | n/a | 2.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389667
(CHEMBL2069927)Show SMILES C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1nnc(o1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H15ClN6O2/c1-11(16-22-23-17(27-16)13-4-3-5-14(19)10-13)26-18-24-21-15(25(18)2)12-6-8-20-9-7-12/h3-11H,1-2H3/t11-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389662
(CHEMBL2069922)Show SMILES CN(Cc1nc(no1)-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C19H17N5O2/c1-24(11-16-20-15-10-6-5-9-14(15)19(25)21-16)12-17-22-18(23-26-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389652
(CHEMBL1504335)Show InChI InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-22-20(25-19)18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389665
(CHEMBL2069925)Show SMILES C(N1CCN(Cc2nc3ccccc3s2)CC1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C21H21N5OS/c1-2-6-16(7-3-1)21-24-23-19(27-21)14-25-10-12-26(13-11-25)15-20-22-17-8-4-5-9-18(17)28-20/h1-9H,10-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389670
(CHEMBL2069930)Show InChI InChI=1S/C16H18ClFN4O3/c1-2-24-16(23)22-7-5-21(6-8-22)10-14-19-15(25-20-14)12-9-11(17)3-4-13(12)18/h3-4,9H,2,5-8,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389671
(CHEMBL2069931)Show InChI InChI=1S/C16H18ClFN4O3/c1-2-24-16(23)22-7-5-21(6-8-22)10-14-19-20-15(25-14)12-9-11(17)3-4-13(12)18/h3-4,9H,2,5-8,10H2,1H3 | 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 | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389663
(CHEMBL2069923)Show SMILES CN(Cc1nnc(o1)-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C19H17N5O2/c1-24(11-16-20-15-10-6-5-9-14(15)18(25)21-16)12-17-22-23-19(26-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389673
(CHEMBL2069932)Show InChI InChI=1S/C16H19ClN4O3/c1-2-23-16(22)21-8-6-20(7-9-21)11-14-18-19-15(24-14)12-4-3-5-13(17)10-12/h3-5,10H,2,6-9,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 1817-30 (2012)
Article DOI: 10.1021/jm2013248
BindingDB Entry DOI: 10.7270/Q2XK8GMR |
More data for this
Ligand-Target Pair | |
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