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2 similar compounds to monomer 50229846

Compile data set for download or QSAR
Wt: 268.3
BDBM50229801
Wt: 271.2
BDBM50229851

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50229801,50229851   
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
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50229851
PNG
(CHEMBL99634)
Show SMILES Cc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1CO
Show InChI InChI=1S/C13H13N5O2/c1-7-2-3-9(4-8(7)5-19)16-13-17-11-10(12(20)18-13)14-6-15-11/h2-4,6,19H,5H2,1H3,(H3,14,15,16,17,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.69E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells


J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 2)
BDBM50229851
PNG
(CHEMBL99634)
Show SMILES Cc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1CO
Show InChI InChI=1S/C13H13N5O2/c1-7-2-3-9(4-8(7)5-19)16-13-17-11-10(12(20)18-13)14-6-15-11/h2-4,6,19H,5H2,1H3,(H3,14,15,16,17,18,20)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells


J Med Chem 35: 2979-83 (1992)


Article DOI: 10.1021/jm00094a007
BindingDB Entry DOI: 10.7270/Q29G5Q2Q
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50229801
PNG
(CHEMBL90183)
Show SMILES Oc1nc2cc3cc(ccc3[nH]c2n1)N1CCCCC1
Show InChI InChI=1S/C15H16N4O/c20-15-17-13-9-10-8-11(19-6-2-1-3-7-19)4-5-12(10)16-14(13)18-15/h4-5,8-9H,1-3,6-7H2,(H2,16,17,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet c-AMP phosphodiesterase PDE 3


J Med Chem 35: 2688-96 (1992)


Article DOI: 10.1021/jm00092a020
BindingDB Entry DOI: 10.7270/Q2PN97WB
More data for this
Ligand-Target Pair