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BDBM37328 2-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)thio]-5-methyl-3-pyrazolamine::2-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-5-methyl-pyrazol-3-amine::2-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-5-methylpyrazol-3-amine::MLS000081884::SMR000060530::[2-(4,6-dimethylpyrimidin-2-yl)-4-[(4-fluorophenyl)thio]-5-methyl-pyrazol-3-yl]amine::cid_2321431

SMILES: Cc1nn(c(N)c1Sc1ccc(F)cc1)-c1nc(C)cc(C)n1

InChI Key: InChIKey=UHKSHIBWGZYKCL-UHFFFAOYSA-N

Data: 3 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 = 37328   
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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM37328
PNG
(2-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)...)
Show SMILES Cc1nn(c(N)c1Sc1ccc(F)cc1)-c1nc(C)cc(C)n1
Show InChI InChI=1S/C16H16FN5S/c1-9-8-10(2)20-16(19-9)22-15(18)14(11(3)21-22)23-13-6-4-12(17)5-7-13/h4-8H,18H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.34E+3n/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 Networ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PZ576Z
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM37328
PNG
(2-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)...)
Show SMILES Cc1nn(c(N)c1Sc1ccc(F)cc1)-c1nc(C)cc(C)n1
Show InChI InChI=1S/C16H16FN5S/c1-9-8-10(2)20-16(19-9)22-15(18)14(11(3)21-22)23-13-6-4-12(17)5-7-13/h4-8H,18H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.75E+4n/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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM37328
PNG
(2-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)...)
Show SMILES Cc1nn(c(N)c1Sc1ccc(F)cc1)-c1nc(C)cc(C)n1
Show InChI InChI=1S/C16H16FN5S/c1-9-8-10(2)20-16(19-9)22-15(18)14(11(3)21-22)23-13-6-4-12(17)5-7-13/h4-8H,18H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair