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BDBM59652 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide::5-azanyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide::MLS000085979::SMR000021308::cid_1263586

SMILES: Nc1[nH]ncc1C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=SJRSJUWOLAGGDE-UHFFFAOYSA-N

Data: 1 IC50  2 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 = 59652   
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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM59652
PNG
(5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-...)
Show SMILES Nc1[nH]ncc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C11H9F3N4O/c12-11(13,14)6-2-1-3-7(4-6)17-10(19)8-5-16-18-9(8)15/h1-5H,(H,17,19)(H3,15,16,18)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 4.45E+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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM59652
PNG
(5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-...)
Show SMILES Nc1[nH]ncc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C11H9F3N4O/c12-11(13,14)6-2-1-3-7(4-6)17-10(19)8-5-16-18-9(8)15/h1-5H,(H,17,19)(H3,15,16,18)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
n/an/an/an/a 1.25E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM59652
PNG
(5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-...)
Show SMILES Nc1[nH]ncc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C11H9F3N4O/c12-11(13,14)6-2-1-3-7(4-6)17-10(19)8-5-16-18-9(8)15/h1-5H,(H,17,19)(H3,15,16,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
n/an/an/an/a>1.16E+5n/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/Q2Q23XQJ
More data for this
Ligand-Target Pair