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BDBM68101 2-(4-tert-butylphenyl)-N'-[(Z)-2-pyrrolylidenemethyl]-1-cyclopropanecarbohydrazide::2-(4-tert-butylphenyl)-N'-[(Z)-pyrrol-2-ylidenemethyl]cyclopropane-1-carbohydrazide::2-(4-tert-butylphenyl)-N'-[(Z)-pyrrol-2-ylidenemethyl]cyclopropanecarbohydrazide::MLS000692856::SMR000285625::cid_16189574

SMILES: CC(C)(C)c1ccc(cc1)C1CC1C(=O)NN=Cc1ccc[nH]1

InChI Key: InChIKey=SADCRQJOKMCNEX-CIAFOILYSA-N

Data: 5 IC50

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 5 hits for monomerid = 68101   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68101
PNG
(2-(4-tert-butylphenyl)-N'-[(Z)-2-pyrrolylidenemeth...)
Show SMILES CC(C)(C)c1ccc(cc1)C1CC1C(=O)NN=Cc1ccc[nH]1 |w:16.17|
Show InChI InChI=1S/C19H23N3O/c1-19(2,3)14-8-6-13(7-9-14)16-11-17(16)18(23)22-21-12-15-5-4-10-20-15/h4-10,12,16-17,20H,11H2,1-3H3,(H,22,23)/b21-12+
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.30E+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
XBP1


(Homo sapiens (Human))
BDBM68101
PNG
(2-(4-tert-butylphenyl)-N'-[(Z)-2-pyrrolylidenemeth...)
Show SMILES CC(C)(C)c1ccc(cc1)C1CC1C(=O)NN=Cc1ccc[nH]1 |w:16.17|
Show InChI InChI=1S/C19H23N3O/c1-19(2,3)14-8-6-13(7-9-14)16-11-17(16)18(23)22-21-12-15-5-4-10-20-15/h4-10,12,16-17,20H,11H2,1-3H3,(H,22,23)/b21-12+
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.00E+4n/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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM68101
PNG
(2-(4-tert-butylphenyl)-N'-[(Z)-2-pyrrolylidenemeth...)
Show SMILES CC(C)(C)c1ccc(cc1)C1CC1C(=O)NN=Cc1ccc[nH]1 |w:16.17|
Show InChI InChI=1S/C19H23N3O/c1-19(2,3)14-8-6-13(7-9-14)16-11-17(16)18(23)22-21-12-15-5-4-10-20-15/h4-10,12,16-17,20H,11H2,1-3H3,(H,22,23)/b21-12+
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.54E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM68101
PNG
(2-(4-tert-butylphenyl)-N'-[(Z)-2-pyrrolylidenemeth...)
Show SMILES CC(C)(C)c1ccc(cc1)C1CC1C(=O)NN=Cc1ccc[nH]1 |w:16.17|
Show InChI InChI=1S/C19H23N3O/c1-19(2,3)14-8-6-13(7-9-14)16-11-17(16)18(23)22-21-12-15-5-4-10-20-15/h4-10,12,16-17,20H,11H2,1-3H3,(H,22,23)/b21-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.66E+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/Q21Z431S
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68101
PNG
(2-(4-tert-butylphenyl)-N'-[(Z)-2-pyrrolylidenemeth...)
Show SMILES CC(C)(C)c1ccc(cc1)C1CC1C(=O)NN=Cc1ccc[nH]1 |w:16.17|
Show InChI InChI=1S/C19H23N3O/c1-19(2,3)14-8-6-13(7-9-14)16-11-17(16)18(23)22-21-12-15-5-4-10-20-15/h4-10,12,16-17,20H,11H2,1-3H3,(H,22,23)/b21-12+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.30E+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