Found 6 hits for monomerid = 50399011 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 |
|---|
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50399011
(CHEMBL2178251)Show SMILES Cn1cc(c(NC(=O)c2cnn3cccnc23)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6O/c1-23-10-14(11-4-2-5-12(18)8-11)15(22-23)21-17(25)13-9-20-24-7-3-6-19-16(13)24/h2-10H,1H3,(H,21,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of purified JAK2 incubated for 30 mins |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50399011
(CHEMBL2178251)Show SMILES Cn1cc(c(NC(=O)c2cnn3cccnc23)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6O/c1-23-10-14(11-4-2-5-12(18)8-11)15(22-23)21-17(25)13-9-20-24-7-3-6-19-16(13)24/h2-10H,1H3,(H,21,22,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50399011
(CHEMBL2178251)Show SMILES Cn1cc(c(NC(=O)c2cnn3cccnc23)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6O/c1-23-10-14(11-4-2-5-12(18)8-11)15(22-23)21-17(25)13-9-20-24-7-3-6-19-16(13)24/h2-10H,1H3,(H,21,22,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399011
(CHEMBL2178251)Show SMILES Cn1cc(c(NC(=O)c2cnn3cccnc23)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6O/c1-23-10-14(11-4-2-5-12(18)8-11)15(22-23)21-17(25)13-9-20-24-7-3-6-19-16(13)24/h2-10H,1H3,(H,21,22,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50399011
(CHEMBL2178251)Show SMILES Cn1cc(c(NC(=O)c2cnn3cccnc23)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6O/c1-23-10-14(11-4-2-5-12(18)8-11)15(22-23)21-17(25)13-9-20-24-7-3-6-19-16(13)24/h2-10H,1H3,(H,21,22,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50399011
(CHEMBL2178251)Show SMILES Cn1cc(c(NC(=O)c2cnn3cccnc23)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6O/c1-23-10-14(11-4-2-5-12(18)8-11)15(22-23)21-17(25)13-9-20-24-7-3-6-19-16(13)24/h2-10H,1H3,(H,21,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
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