Found 2 hits with Last Name = 'blonder' and Initial = 'jp' 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)) | BDBM50354475
(CHEMBL1738699)Show SMILES Cc1cc(ccc1-n1c(CCC(O)=O)ccc1-c1ccc(cc1)-n1ccnc1)C(N)=O |(.17,2.54,;-.17,3.72,;.89,4.84,;.46,6.31,;-1.04,6.68,;-2.1,5.57,;-1.66,4.09,;-2.81,3.06,;-4.32,3.38,;-4.95,4.78,;-6.48,4.94,;-7.11,6.34,;-6.39,7.34,;-8.34,6.47,;-5.09,2.04,;-4.05,.9,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.9,;1.52,7.43,;2.72,7.14,;1.17,8.61,)| Show InChI InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-9-21(16)28-20(8-11-23(29)30)7-10-22(28)17-2-5-19(6-3-17)27-13-12-26-15-27/h2-7,9-10,12-15H,8,11H2,1H3,(H2,25,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
ACS Med Chem Lett 2: 402-406 (2011)
Article DOI: 10.1021/ml200045s
BindingDB Entry DOI: 10.7270/Q2RN38BX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50354475
(CHEMBL1738699)Show SMILES Cc1cc(ccc1-n1c(CCC(O)=O)ccc1-c1ccc(cc1)-n1ccnc1)C(N)=O |(.17,2.54,;-.17,3.72,;.89,4.84,;.46,6.31,;-1.04,6.68,;-2.1,5.57,;-1.66,4.09,;-2.81,3.06,;-4.32,3.38,;-4.95,4.78,;-6.48,4.94,;-7.11,6.34,;-6.39,7.34,;-8.34,6.47,;-5.09,2.04,;-4.05,.9,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.9,;1.52,7.43,;2.72,7.14,;1.17,8.61,)| Show InChI InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-9-21(16)28-20(8-11-23(29)30)7-10-22(28)17-2-5-19(6-3-17)27-13-12-26-15-27/h2-7,9-10,12-15H,8,11H2,1H3,(H2,25,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
N30 Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 21: 5849-53 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.103
BindingDB Entry DOI: 10.7270/Q2F76CZF |
More data for this
Ligand-Target Pair | |
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