Found 62 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)) | BDBM50350382
(CHEMBL1813316)Show SMILES CCN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H21Cl2N/c1-2-19-10-13-5-3-4-8-16(13,11-19)12-6-7-14(17)15(18)9-12/h6-7,9,13H,2-5,8,10-11H2,1H3/t13-,16+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350384
(CHEMBL1813313)Show SMILES CN1C[C@@H]2CCCC[C@@]2(C1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H23N/c1-20-13-18-8-4-5-11-19(18,14-20)17-10-9-15-6-2-3-7-16(15)12-17/h2-3,6-7,9-10,12,18H,4-5,8,11,13-14H2,1H3/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350378
(CHEMBL1813314)Show SMILES CN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2N/c1-18-9-12-4-2-3-7-15(12,10-18)11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/t12-,15+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350388
(CHEMBL1813474)Show InChI InChI=1S/C13H15Cl2N/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13/h3-4,6,10,16H,1-2,5,7-8H2/t10-,13+/m0/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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350386
(CHEMBL1813478)Show SMILES CN1C[C@@H]2CCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2N/c1-17-8-11-3-2-6-14(11,9-17)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-,14+/m0/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 | 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350379
(CHEMBL1813315)Show SMILES CN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2N/c1-18-9-12-4-2-3-7-15(12,10-18)11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/t12-,15+/m0/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 | 2.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by high throughput single cell planar patch clamp method |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350388
(CHEMBL1813474)Show InChI InChI=1S/C13H15Cl2N/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13/h3-4,6,10,16H,1-2,5,7-8H2/t10-,13+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350392
(CHEMBL1813483)Show InChI InChI=1S/C18H21N/c1-19-12-17-7-4-10-18(17,13-19)16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,17H,4,7,10,12-13H2,1H3/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350390
(CHEMBL1813476)Show InChI InChI=1S/C17H19N/c1-2-5-14-10-15(8-7-13(14)4-1)17-9-3-6-16(17)11-18-12-17/h1-2,4-5,7-8,10,16,18H,3,6,9,11-12H2/t16-,17+/m0/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 | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350380
(CHEMBL1813471)Show InChI InChI=1S/C14H17Cl2N/c15-12-5-4-10(7-13(12)16)14-6-2-1-3-11(14)8-17-9-14/h4-5,7,11,17H,1-3,6,8-9H2/t11-,14+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350383
(CHEMBL1813317)Show SMILES CCN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H21Cl2N/c1-2-19-10-13-5-3-4-8-16(13,11-19)12-6-7-14(17)15(18)9-12/h6-7,9,13H,2-5,8,10-11H2,1H3/t13-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350381
(CHEMBL1813472)Show InChI InChI=1S/C14H17Cl2N/c15-12-5-4-10(7-13(12)16)14-6-2-1-3-11(14)8-17-9-14/h4-5,7,11,17H,1-3,6,8-9H2/t11-,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 | 3.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by high throughput single cell planar patch clamp method |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350388
(CHEMBL1813474)Show InChI InChI=1S/C13H15Cl2N/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13/h3-4,6,10,16H,1-2,5,7-8H2/t10-,13+/m0/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 | 4.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350378
(CHEMBL1813314)Show SMILES CN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2N/c1-18-9-12-4-2-3-7-15(12,10-18)11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/t12-,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 | 4.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by high throughput single cell planar patch clamp method |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350383
(CHEMBL1813317)Show SMILES CCN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H21Cl2N/c1-2-19-10-13-5-3-4-8-16(13,11-19)12-6-7-14(17)15(18)9-12/h6-7,9,13H,2-5,8,10-11H2,1H3/t13-,16+/m0/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 | 4.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by high throughput single cell planar patch clamp method |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350386
(CHEMBL1813478)Show SMILES CN1C[C@@H]2CCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2N/c1-17-8-11-3-2-6-14(11,9-17)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-,14+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350382
(CHEMBL1813316)Show SMILES CCN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H21Cl2N/c1-2-19-10-13-5-3-4-8-16(13,11-19)12-6-7-14(17)15(18)9-12/h6-7,9,13H,2-5,8,10-11H2,1H3/t13-,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 | 4.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by high throughput single cell planar patch clamp method |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350383
(CHEMBL1813317)Show SMILES CCN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H21Cl2N/c1-2-19-10-13-5-3-4-8-16(13,11-19)12-6-7-14(17)15(18)9-12/h6-7,9,13H,2-5,8,10-11H2,1H3/t13-,16+/m0/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 |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350382
(CHEMBL1813316)Show SMILES CCN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H21Cl2N/c1-2-19-10-13-5-3-4-8-16(13,11-19)12-6-7-14(17)15(18)9-12/h6-7,9,13H,2-5,8,10-11H2,1H3/t13-,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 |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350382
(CHEMBL1813316)Show SMILES CCN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H21Cl2N/c1-2-19-10-13-5-3-4-8-16(13,11-19)12-6-7-14(17)15(18)9-12/h6-7,9,13H,2-5,8,10-11H2,1H3/t13-,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 |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350383
(CHEMBL1813317)Show SMILES CCN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H21Cl2N/c1-2-19-10-13-5-3-4-8-16(13,11-19)12-6-7-14(17)15(18)9-12/h6-7,9,13H,2-5,8,10-11H2,1H3/t13-,16+/m0/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 |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350389
(CHEMBL1813475)Show InChI InChI=1S/C13H15Cl2N/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13/h3-4,6,10,16H,1-2,5,7-8H2/t10-,13+/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 |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350387
(CHEMBL1813484)Show InChI InChI=1S/C14H17Cl2N/c1-17-8-11-3-2-6-14(11,9-17)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-,14+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350389
(CHEMBL1813475)Show InChI InChI=1S/C13H15Cl2N/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13/h3-4,6,10,16H,1-2,5,7-8H2/t10-,13+/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 | 5.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by high throughput single cell planar patch clamp method |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350379
(CHEMBL1813315)Show SMILES CN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2N/c1-18-9-12-4-2-3-7-15(12,10-18)11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/t12-,15+/m0/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 | 5.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350387
(CHEMBL1813484)Show InChI InChI=1S/C14H17Cl2N/c1-17-8-11-3-2-6-14(11,9-17)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-,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 | 5.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by high throughput single cell planar patch clamp method |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350386
(CHEMBL1813478)Show SMILES CN1C[C@@H]2CCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2N/c1-17-8-11-3-2-6-14(11,9-17)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-,14+/m0/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 | 5.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by high throughput single cell planar patch clamp method |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350388
(CHEMBL1813474)Show InChI InChI=1S/C13H15Cl2N/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13/h3-4,6,10,16H,1-2,5,7-8H2/t10-,13+/m0/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 | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by high throughput single cell planar patch clamp method |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350380
(CHEMBL1813471)Show InChI InChI=1S/C14H17Cl2N/c15-12-5-4-10(7-13(12)16)14-6-2-1-3-11(14)8-17-9-14/h4-5,7,11,17H,1-3,6,8-9H2/t11-,14+/m0/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 | 6.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by high throughput single cell planar patch clamp method |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350378
(CHEMBL1813314)Show SMILES CN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2N/c1-18-9-12-4-2-3-7-15(12,10-18)11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/t12-,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 | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350389
(CHEMBL1813475)Show InChI InChI=1S/C13H15Cl2N/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13/h3-4,6,10,16H,1-2,5,7-8H2/t10-,13+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350391
(CHEMBL1813477)Show InChI InChI=1S/C17H19N/c1-2-5-14-10-15(8-7-13(14)4-1)17-9-3-6-16(17)11-18-12-17/h1-2,4-5,7-8,10,16,18H,3,6,9,11-12H2/t16-,17+/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 | 7.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350387
(CHEMBL1813484)Show InChI InChI=1S/C14H17Cl2N/c1-17-8-11-3-2-6-14(11,9-17)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-,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 | 7.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350381
(CHEMBL1813472)Show InChI InChI=1S/C14H17Cl2N/c15-12-5-4-10(7-13(12)16)14-6-2-1-3-11(14)8-17-9-14/h4-5,7,11,17H,1-3,6,8-9H2/t11-,14+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350379
(CHEMBL1813315)Show SMILES CN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2N/c1-18-9-12-4-2-3-7-15(12,10-18)11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/t12-,15+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350380
(CHEMBL1813471)Show InChI InChI=1S/C14H17Cl2N/c15-12-5-4-10(7-13(12)16)14-6-2-1-3-11(14)8-17-9-14/h4-5,7,11,17H,1-3,6,8-9H2/t11-,14+/m0/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 | 8.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350388
(CHEMBL1813474)Show InChI InChI=1S/C13H15Cl2N/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13/h3-4,6,10,16H,1-2,5,7-8H2/t10-,13+/m0/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 | 9.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350390
(CHEMBL1813476)Show InChI InChI=1S/C17H19N/c1-2-5-14-10-15(8-7-13(14)4-1)17-9-3-6-16(17)11-18-12-17/h1-2,4-5,7-8,10,16,18H,3,6,9,11-12H2/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350386
(CHEMBL1813478)Show SMILES CN1C[C@@H]2CCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2N/c1-17-8-11-3-2-6-14(11,9-17)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-,14+/m0/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 | 9.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350391
(CHEMBL1813477)Show InChI InChI=1S/C17H19N/c1-2-5-14-10-15(8-7-13(14)4-1)17-9-3-6-16(17)11-18-12-17/h1-2,4-5,7-8,10,16,18H,3,6,9,11-12H2/t16-,17+/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 | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350391
(CHEMBL1813477)Show InChI InChI=1S/C17H19N/c1-2-5-14-10-15(8-7-13(14)4-1)17-9-3-6-16(17)11-18-12-17/h1-2,4-5,7-8,10,16,18H,3,6,9,11-12H2/t16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350389
(CHEMBL1813475)Show InChI InChI=1S/C13H15Cl2N/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13/h3-4,6,10,16H,1-2,5,7-8H2/t10-,13+/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 | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350378
(CHEMBL1813314)Show SMILES CN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2N/c1-18-9-12-4-2-3-7-15(12,10-18)11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/t12-,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 | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350386
(CHEMBL1813478)Show SMILES CN1C[C@@H]2CCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2N/c1-17-8-11-3-2-6-14(11,9-17)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-,14+/m0/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 | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350381
(CHEMBL1813472)Show InChI InChI=1S/C14H17Cl2N/c15-12-5-4-10(7-13(12)16)14-6-2-1-3-11(14)8-17-9-14/h4-5,7,11,17H,1-3,6,8-9H2/t11-,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 | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350393
(CHEMBL1813485)Show InChI InChI=1S/C18H21N/c1-19-12-17-7-4-10-18(17,13-19)16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,17H,4,7,10,12-13H2,1H3/t17-,18+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50350385
(CHEMBL1813470)Show InChI InChI=1S/C19H23N/c1-20-13-18-8-4-5-11-19(18,14-20)17-10-9-15-6-2-3-7-16(15)12-17/h2-3,6-7,9-10,12,18H,4-5,8,11,13-14H2,1H3/t18-,19+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350391
(CHEMBL1813477)Show InChI InChI=1S/C17H19N/c1-2-5-14-10-15(8-7-13(14)4-1)17-9-3-6-16(17)11-18-12-17/h1-2,4-5,7-8,10,16,18H,3,6,9,11-12H2/t16-,17+/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 | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350382
(CHEMBL1813316)Show SMILES CCN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H21Cl2N/c1-2-19-10-13-5-3-4-8-16(13,11-19)12-6-7-14(17)15(18)9-12/h6-7,9,13H,2-5,8,10-11H2,1H3/t13-,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 | 1.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350379
(CHEMBL1813315)Show SMILES CN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2N/c1-18-9-12-4-2-3-7-15(12,10-18)11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/t12-,15+/m0/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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350380
(CHEMBL1813471)Show InChI InChI=1S/C14H17Cl2N/c15-12-5-4-10(7-13(12)16)14-6-2-1-3-11(14)8-17-9-14/h4-5,7,11,17H,1-3,6,8-9H2/t11-,14+/m0/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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50350387
(CHEMBL1813484)Show InChI InChI=1S/C14H17Cl2N/c1-17-8-11-3-2-6-14(11,9-17)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-,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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350379
(CHEMBL1813315)Show SMILES CN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2N/c1-18-9-12-4-2-3-7-15(12,10-18)11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/t12-,15+/m0/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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350381
(CHEMBL1813472)Show InChI InChI=1S/C14H17Cl2N/c15-12-5-4-10(7-13(12)16)14-6-2-1-3-11(14)8-17-9-14/h4-5,7,11,17H,1-3,6,8-9H2/t11-,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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350390
(CHEMBL1813476)Show InChI InChI=1S/C17H19N/c1-2-5-14-10-15(8-7-13(14)4-1)17-9-3-6-16(17)11-18-12-17/h1-2,4-5,7-8,10,16,18H,3,6,9,11-12H2/t16-,17+/m0/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 |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350387
(CHEMBL1813484)Show InChI InChI=1S/C14H17Cl2N/c1-17-8-11-3-2-6-14(11,9-17)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-,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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350380
(CHEMBL1813471)Show InChI InChI=1S/C14H17Cl2N/c15-12-5-4-10(7-13(12)16)14-6-2-1-3-11(14)8-17-9-14/h4-5,7,11,17H,1-3,6,8-9H2/t11-,14+/m0/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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350381
(CHEMBL1813472)Show InChI InChI=1S/C14H17Cl2N/c15-12-5-4-10(7-13(12)16)14-6-2-1-3-11(14)8-17-9-14/h4-5,7,11,17H,1-3,6,8-9H2/t11-,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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350390
(CHEMBL1813476)Show InChI InChI=1S/C17H19N/c1-2-5-14-10-15(8-7-13(14)4-1)17-9-3-6-16(17)11-18-12-17/h1-2,4-5,7-8,10,16,18H,3,6,9,11-12H2/t16-,17+/m0/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 |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50350383
(CHEMBL1813317)Show SMILES CCN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H21Cl2N/c1-2-19-10-13-5-3-4-8-16(13,11-19)12-6-7-14(17)15(18)9-12/h6-7,9,13H,2-5,8,10-11H2,1H3/t13-,16+/m0/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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350378
(CHEMBL1813314)Show SMILES CN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2N/c1-18-9-12-4-2-3-7-15(12,10-18)11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/t12-,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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50350389
(CHEMBL1813475)Show InChI InChI=1S/C13H15Cl2N/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13/h3-4,6,10,16H,1-2,5,7-8H2/t10-,13+/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 |
Sunovion Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
J Med Chem 54: 5283-95 (2011)
Article DOI: 10.1021/jm101312a
BindingDB Entry DOI: 10.7270/Q29K4BM0 |
More data for this
Ligand-Target Pair | |
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