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PDB code 1VJ3

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dihydrofolate Reductase (DHFR)

  (205/205 = 100%)
(Pneumocystis carinii)
BDBM50058401
PNG
(2,4-Diamino-5-[4-chloro-3-[3-[2-(acetyloxy)ethyl]-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1
Show InChI InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+
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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Pneumocystis carinii dihydrofolate reductase


J Med Chem 40: 1886-93 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output