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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase/GAR transformylase/AICAR transformylase' and Ligand = 'BDBM50028107'   
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
Thymidylate synthase/GAR transformylase/AICAR transformylase


(Homo sapiens (Human))
BDBM50028107
PNG
(2-{4-[(2-Amino-5-{1-[5-(dihydroxy-phosphanyloxymet...)
Show SMILES Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)N(Cc3cn([C@H]4C[C@H](O)[C@@H](COP(O)O)O4)c(=O)[nH]c3=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C30H35N8O13P/c31-29-34-18-6-5-17(10-32-16-3-1-14(2-4-16)25(42)33-19(28(45)46)7-8-23(40)41)37(24(18)27(44)35-29)11-15-12-38(30(47)36-26(15)43)22-9-20(39)21(51-22)13-50-52(48)49/h1-4,12,17,19-22,32,39H,5-11,13H2,(H,33,42)(H,40,41)(H,45,46)(H,36,43,47)(H3,31,34,35,44)/q-2/p-2
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1710-7 (1985)


BindingDB Entry DOI: 10.7270/Q2N87BBJ
More data for this
Ligand-Target Pair