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2 similar compounds to monomer 50229837

Compile data set for download or QSAR
Wt: 364.4
BDBM50229838
Wt: 306.1
BDBM50229850

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50229838,50229850   
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...)
BDBM50229850
PNG
(CHEMBL406300)
Show SMILES Oc1[nH]c(Nc2cccc(Br)c2)nc2ncnc12
Show InChI InChI=1S/C11H8BrN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.51E+3n/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)
BDBM50229850
PNG
(CHEMBL406300)
Show SMILES Oc1[nH]c(Nc2cccc(Br)c2)nc2ncnc12
Show InChI InChI=1S/C11H8BrN5O/c12-6-2-1-3-7(4-6)15-11-16-9-8(10(18)17-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 603n/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
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229838
PNG
(CHEMBL88183)
Show SMILES CCCCCOC(=O)CCC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C12H20N4O5S2/c1-3-4-5-8-21-10(18)7-6-9(17)14-11-16(2)15-12(22-11)23(13,19)20/h3-8H2,1-2H3,(H2,13,19,20)/b14-11+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair