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1 similar compounds to monomer 50439676

Compile data set for download or QSAR
Wt: 516.3
BDBM50117203
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50117203   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Thymidylate synthase


(Homo sapiens (Human))
BDBM50117203
PNG
(4-[(7-Bromo-2-methyl-4-oxo-3,4-dihydro-quinazolin-...)
Show SMILES Cc1nc2cc(Br)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c(=O)[nH]1
Show InChI InChI=1S/C26H22BrN5O2/c1-3-11-32(16-20-12-22-24(13-23(20)27)30-17(2)31-26(22)34)21-8-6-19(7-9-21)25(33)29-15-18-5-4-10-28-14-18/h1,4-10,12-14H,11,15-16H2,2H3,(H,29,33)(H,30,31,34)
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PC cid
PC sid
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Article
PubMed
n/an/a 156n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50117203
PNG
(4-[(7-Bromo-2-methyl-4-oxo-3,4-dihydro-quinazolin-...)
Show SMILES Cc1nc2cc(Br)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c(=O)[nH]1
Show InChI InChI=1S/C26H22BrN5O2/c1-3-11-32(16-20-12-22-24(13-23(20)27)30-17(2)31-26(22)34)21-8-6-19(7-9-21)25(33)29-15-18-5-4-10-28-14-18/h1,4-10,12-14H,11,15-16H2,2H3,(H,29,33)(H,30,31,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 156n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Growth inhibitory activity against mouse lymphoblastoid L1210TS cell line was determined as inhibition of thymidylate synthase


J Med Chem 45: 3692-702 (2002)


Article DOI: 10.1021/jm011081s
BindingDB Entry DOI: 10.7270/Q24X5739
More data for this
Ligand-Target Pair