BindingDB logo
myBDB logout

BDBM34595 4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester::4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester::MLS000054052::SMR000061412::cid_2999664::ethyl 4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate::ethyl 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1

InChI Key: InChIKey=RDQBONJTCROCKO-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 34595   
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
MPI protein


(Homo sapiens (Human))
BDBM34595
PNG
(4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-6-methy...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1 |c:10|
Show InChI InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,14-15H,4H2,1-3H3,(H,21,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.40E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34595
PNG
(4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-6-methy...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1 |c:10|
Show InChI InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,14-15H,4H2,1-3H3,(H,21,25)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.75E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2CF9NG2
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34595
PNG
(4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-6-methy...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1 |c:10|
Show InChI InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,14-15H,4H2,1-3H3,(H,21,25)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.54E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q23X852V
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34595
PNG
(4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-6-methy...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1 |c:10|
Show InChI InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,14-15H,4H2,1-3H3,(H,21,25)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.74E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q27P8WSS
More data for this
Ligand-Target Pair