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BDBM33415 CHEMBL204900::pyrimidinol carboxylic acid, 7

SMILES: OC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O

InChI Key: InChIKey=KKFDSUVIQPBLJU-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 33415   
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
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33415
PNG
(CHEMBL204900 | pyrimidinol carboxylic acid, 7)
Show SMILES OC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O
Show InChI InChI=1S/C12H10N2O4/c15-10-9(12(17)18)13-8(14-11(10)16)6-7-4-2-1-3-5-7/h1-5,15H,6H2,(H,17,18)(H,13,14,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM33415
PNG
(CHEMBL204900 | pyrimidinol carboxylic acid, 7)
Show SMILES OC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O
Show InChI InChI=1S/C12H10N2O4/c15-10-9(12(17)18)13-8(14-11(10)16)6-7-4-2-1-3-5-7/h1-5,15H,6H2,(H,17,18)(H,13,14,16)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Ribonuclease H1


(Homo sapiens (Human))
BDBM33415
PNG
(CHEMBL204900 | pyrimidinol carboxylic acid, 7)
Show SMILES OC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O
Show InChI InChI=1S/C12H10N2O4/c15-10-9(12(17)18)13-8(14-11(10)16)6-7-4-2-1-3-5-7/h1-5,15H,6H2,(H,17,18)(H,13,14,16)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair