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2 similar compounds to monomer 50236118

Compile data set for download or QSAR
Wt: 358.2
BDBM50236116
Wt: 313.7
BDBM50236117

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50236116,50236117   
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
dCTP pyrophosphatase 1


(Homo sapiens (Human))
BDBM50236117
PNG
(CHEMBL4083779)
Show SMILES Clc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1
Show InChI InChI=1S/C14H8ClN5S/c15-10-5-3-4-9(8-10)13-19-20-12(17-18-14(20)21-13)11-6-1-2-7-16-11/h1-8H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 271n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged dCTPase 1 expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by ma...


J Med Chem 60: 2148-2154 (2017)

More data for this
Ligand-Target Pair
dCTP pyrophosphatase 1


(Homo sapiens (Human))
BDBM50236116
PNG
(CHEMBL4101775)
Show SMILES Brc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1
Show InChI InChI=1S/C14H8BrN5S/c15-10-5-3-4-9(8-10)13-19-20-12(17-18-14(20)21-13)11-6-1-2-7-16-11/h1-8H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 602n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged dCTPase 1 expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by ma...


J Med Chem 60: 2148-2154 (2017)

More data for this
Ligand-Target Pair