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BDBM45041 3-(2-naphthalenyl)-N-(2-pyridinylmethylideneamino)-1H-pyrazole-5-carboxamide::3-(2-naphthyl)-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide::3-(2-naphthyl)-N-(2-pyridylmethyleneamino)-1H-pyrazole-5-carboxamide::3-(2-naphthyl)-N-[(E)-2-pyridylmethyleneamino]-1H-pyrazole-5-carboxamide::3-naphthalen-2-yl-N-(pyridin-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide::MLS000577741::SMR000187124::cid_687713

SMILES: O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1

InChI Key: InChIKey=MPKRSBLEPUYVPU-UHFFFAOYSA-N

Data: 7 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 8 hits for monomerid = 45041   
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM45041
PNG
(3-(2-naphthalenyl)-N-(2-pyridinylmethylideneamino)...)
Show SMILES O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|
Show InChI InChI=1S/C20H15N5O/c26-20(25-22-13-17-7-3-4-10-21-17)19-12-18(23-24-19)16-9-8-14-5-1-2-6-15(14)11-16/h1-13H,(H,23,24)(H,25,26)
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n/an/an/an/a 4.04E+3n/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 C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM45041
PNG
(3-(2-naphthalenyl)-N-(2-pyridinylmethylideneamino)...)
Show SMILES O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|
Show InChI InChI=1S/C20H15N5O/c26-20(25-22-13-17-7-3-4-10-21-17)19-12-18(23-24-19)16-9-8-14-5-1-2-6-15(14)11-16/h1-13H,(H,23,24)(H,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

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DrugBank
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n/an/a 6.53E+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/Q2QN656Q
More data for this
Ligand-Target Pair
BZLF1


(Human herpesvirus 4)
BDBM45041
PNG
(3-(2-naphthalenyl)-N-(2-pyridinylmethylideneamino)...)
Show SMILES O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|
Show InChI InChI=1S/C20H15N5O/c26-20(25-22-13-17-7-3-4-10-21-17)19-12-18(23-24-19)16-9-8-14-5-1-2-6-15(14)11-16/h1-13H,(H,23,24)(H,25,26)
PDB
MMDB

KEGG

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n/an/a>6.70E+4n/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/Q2BC3X0T
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM45041
PNG
(3-(2-naphthalenyl)-N-(2-pyridinylmethylideneamino)...)
Show SMILES O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|
Show InChI InChI=1S/C20H15N5O/c26-20(25-22-13-17-7-3-4-10-21-17)19-12-18(23-24-19)16-9-8-14-5-1-2-6-15(14)11-16/h1-13H,(H,23,24)(H,25,26)
PDB

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n/an/a 1.30E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM45041
PNG
(3-(2-naphthalenyl)-N-(2-pyridinylmethylideneamino)...)
Show SMILES O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|
Show InChI InChI=1S/C20H15N5O/c26-20(25-22-13-17-7-3-4-10-21-17)19-12-18(23-24-19)16-9-8-14-5-1-2-6-15(14)11-16/h1-13H,(H,23,24)(H,25,26)
KEGG

UniProtKB/SwissProt
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n/an/a 680n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM45041
PNG
(3-(2-naphthalenyl)-N-(2-pyridinylmethylideneamino)...)
Show SMILES O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|
Show InChI InChI=1S/C20H15N5O/c26-20(25-22-13-17-7-3-4-10-21-17)19-12-18(23-24-19)16-9-8-14-5-1-2-6-15(14)11-16/h1-13H,(H,23,24)(H,25,26)
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n/an/a 5.31E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM45041
PNG
(3-(2-naphthalenyl)-N-(2-pyridinylmethylideneamino)...)
Show SMILES O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|
Show InChI InChI=1S/C20H15N5O/c26-20(25-22-13-17-7-3-4-10-21-17)19-12-18(23-24-19)16-9-8-14-5-1-2-6-15(14)11-16/h1-13H,(H,23,24)(H,25,26)
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n/an/a 2.87E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM45041
PNG
(3-(2-naphthalenyl)-N-(2-pyridinylmethylideneamino)...)
Show SMILES O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|
Show InChI InChI=1S/C20H15N5O/c26-20(25-22-13-17-7-3-4-10-21-17)19-12-18(23-24-19)16-9-8-14-5-1-2-6-15(14)11-16/h1-13H,(H,23,24)(H,25,26)
KEGG

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n/an/a 5.31E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair