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BDBM62463 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester::5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester::MLS000389562::SMR000255836::[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate::[1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate::cid_3510578

SMILES: CC(OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)Nc1ccc(F)cc1Cl

InChI Key: InChIKey=LKADNVTZVOHPCN-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 62463   
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
BZLF1


(Human herpesvirus 4)
BDBM62463
PNG
(1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic a...)
Show SMILES CC(OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)Nc1ccc(F)cc1Cl
Show InChI InChI=1S/C21H18Cl2FN3O3/c1-12-18(19(23)27(26-12)11-14-6-4-3-5-7-14)21(29)30-13(2)20(28)25-17-9-8-15(24)10-16(17)22/h3-10,13H,11H2,1-2H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.11E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957MN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM62463
PNG
(1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic a...)
Show SMILES CC(OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)Nc1ccc(F)cc1Cl
Show InChI InChI=1S/C21H18Cl2FN3O3/c1-12-18(19(23)27(26-12)11-14-6-4-3-5-7-14)21(29)30-13(2)20(28)25-17-9-8-15(24)10-16(17)22/h3-10,13H,11H2,1-2H3,(H,25,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2FX77XM
More data for this
Ligand-Target Pair
EBNA-1 protein


(Human herpesvirus 4)
BDBM62463
PNG
(1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic a...)
Show SMILES CC(OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)Nc1ccc(F)cc1Cl
Show InChI InChI=1S/C21H18Cl2FN3O3/c1-12-18(19(23)27(26-12)11-14-6-4-3-5-7-14)21(29)30-13(2)20(28)25-17-9-8-15(24)10-16(17)22/h3-10,13H,11H2,1-2H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.89E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GXC
More data for this
Ligand-Target Pair