Found 6 hits for monomerid = 50399007 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838
BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838
BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838
BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838
BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838
BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838
BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this
Ligand-Target Pair | |
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