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BDBM67779 (6Z)-4-chloranyl-6-(5-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one::(6Z)-4-chloro-6-(5-phenyl-1,2-dihydropyrazol-3-ylidene)-1-cyclohexa-2,4-dienone::(6Z)-4-chloro-6-(5-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one::(6Z)-4-chloro-6-(5-phenyl-3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1-one::MLS000114270::SMR000091684::cid_5339816

SMILES: Oc1ccc(Cl)cc1-c1cc([nH]n1)-c1ccccc1

InChI Key: InChIKey=GQKWBLRKKSSCQQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 67779   
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)
BDBM67779
PNG
((6Z)-4-chloranyl-6-(5-phenyl-1,2-dihydropyrazol-3-...)
Show SMILES Oc1ccc(Cl)cc1-c1cc([nH]n1)-c1ccccc1
Show InChI InChI=1S/C15H11ClN2O/c16-11-6-7-15(19)12(8-11)14-9-13(17-18-14)10-4-2-1-3-5-10/h1-9,19H,(H,17,18)
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 4.78E+3n/an/an/an/an/an/a



Emory University

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)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67779
PNG
((6Z)-4-chloranyl-6-(5-phenyl-1,2-dihydropyrazol-3-...)
Show SMILES Oc1ccc(Cl)cc1-c1cc([nH]n1)-c1ccccc1
Show InChI InChI=1S/C15H11ClN2O/c16-11-6-7-15(19)12(8-11)14-9-13(17-18-14)10-4-2-1-3-5-10/h1-9,19H,(H,17,18)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.78E+3n/an/an/an/an/an/a



Emory University

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
XBP1


(Homo sapiens (Human))
BDBM67779
PNG
((6Z)-4-chloranyl-6-(5-phenyl-1,2-dihydropyrazol-3-...)
Show SMILES Oc1ccc(Cl)cc1-c1cc([nH]n1)-c1ccccc1
Show InChI InChI=1S/C15H11ClN2O/c16-11-6-7-15(19)12(8-11)14-9-13(17-18-14)10-4-2-1-3-5-10/h1-9,19H,(H,17,18)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University

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