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BDBM36845 5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic acid 4-(2-oxo-pyrrolidin-1-yl)-benzylamide::5-tert-butyl-2-methyl-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]pyrazole-3-carboxamide::5-tert-butyl-2-methyl-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3-pyrazolecarboxamide::5-tert-butyl-2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-3-carboxamide::5-tert-butyl-N-[4-(2-ketopyrrolidino)benzyl]-2-methyl-pyrazole-3-carboxamide::MLS000074502::SMR000007305::cid_648690

SMILES: Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C

InChI Key: InChIKey=YZLNFCWOZRTQAB-UHFFFAOYSA-N

Data: 7 IC50  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 10 hits for monomerid = 36845   
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 1


(Homo sapiens (Human))
BDBM36845
PNG
(5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
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n/an/an/an/a>3.00E+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 (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36845
PNG
(5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
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n/an/an/an/a 3.86E+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 Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36845
PNG
(5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
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n/an/an/an/a 4.46E+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 Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM36845
PNG
(5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
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n/an/a 1.57E+3n/an/an/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 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Galanin receptor type 3


(Homo sapiens (Human))
BDBM36845
PNG
(5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
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n/an/a 1.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor type 2


(Homo sapiens (Human))
BDBM36845
PNG
(5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
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n/an/a>4.20E+4n/an/an/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 Affiliation: The Scripps Research Institute (TSRI) Assay Provid...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W094B7
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM36845
PNG
(5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
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n/an/a 3.18E+3n/an/an/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 (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM36845
PNG
(5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
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n/an/a 3.26E+3n/an/an/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 (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM36845
PNG
(5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
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n/an/a 9.05E+3n/an/an/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 (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Galanin receptor type 2


(Homo sapiens (Human))
BDBM36845
PNG
(5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
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n/an/a>4.20E+4n/an/an/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 Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2D21W05
More data for this
Ligand-Target Pair