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BDBM31371 3-(tert-butyl)-N-(4-fluorophenyl)-1-(3-methylbenzyl)-1H-pyrazole-5-carboxamide::5-tert-butyl-N-(4-fluorophenyl)-2-(3-methylbenzyl)pyrazole-3-carboxamide::5-tert-butyl-N-(4-fluorophenyl)-2-[(3-methylphenyl)methyl]-3-pyrazolecarboxamide::5-tert-butyl-N-(4-fluorophenyl)-2-[(3-methylphenyl)methyl]pyrazole-3-carboxamide::MLS000830193::SMR000458114::cid_2810094

SMILES: Cc1cccc(Cn2nc(cc2C(=O)Nc2ccc(F)cc2)C(C)(C)C)c1

InChI Key: InChIKey=HUBCTTCWOVWEQQ-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 = 31371   
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
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31371
PNG
(3-(tert-butyl)-N-(4-fluorophenyl)-1-(3-methylbenzy...)
Show SMILES Cc1cccc(Cn2nc(cc2C(=O)Nc2ccc(F)cc2)C(C)(C)C)c1
Show InChI InChI=1S/C22H24FN3O/c1-15-6-5-7-16(12-15)14-26-19(13-20(25-26)22(2,3)4)21(27)24-18-10-8-17(23)9-11-18/h5-13H,14H2,1-4H3,(H,24,27)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.86E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 flasks at 37 degrees C and 95% relative humidity (RH). The growth media consisted of Dulbecco's Modified ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FQ9TZS
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM31371
PNG
(3-(tert-butyl)-N-(4-fluorophenyl)-1-(3-methylbenzy...)
Show SMILES Cc1cccc(Cn2nc(cc2C(=O)Nc2ccc(F)cc2)C(C)(C)C)c1
Show InChI InChI=1S/C22H24FN3O/c1-15-6-5-7-16(12-15)14-26-19(13-20(25-26)22(2,3)4)21(27)24-18-10-8-17(23)9-11-18/h5-13H,14H2,1-4H3,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.90E+3n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31371
PNG
(3-(tert-butyl)-N-(4-fluorophenyl)-1-(3-methylbenzy...)
Show SMILES Cc1cccc(Cn2nc(cc2C(=O)Nc2ccc(F)cc2)C(C)(C)C)c1
Show InChI InChI=1S/C22H24FN3O/c1-15-6-5-7-16(12-15)14-26-19(13-20(25-26)22(2,3)4)21(27)24-18-10-8-17(23)9-11-18/h5-13H,14H2,1-4H3,(H,24,27)
NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.22E+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 (2009)


BindingDB Entry DOI: 10.7270/Q228061X
More data for this
Ligand-Target Pair