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BDBM43827 (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid::(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoic acid::(E)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid::(E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid::Aminoglycosides, 4::MLS000567315::SMR000154054::cid_2565969

SMILES: OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1

InChI Key: InChIKey=LTHZEHAKKYOLNA-VAWYXSNFSA-N

Data: 1 IC50  1 Kd  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 4 hits for monomerid = 43827   
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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43827
PNG
((E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid...)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-18(23)12-11-17-14-21(13-15-7-3-1-4-8-15)20-19(17)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,22,23)/b12-11+
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PCBioAssay
n/an/an/an/a 1.37E+7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM43827
PNG
((E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid...)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-18(23)12-11-17-14-21(13-15-7-3-1-4-8-15)20-19(17)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,22,23)/b12-11+
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n/an/a 8.50E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BV7F1T
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43827
PNG
((E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid...)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-18(23)12-11-17-14-21(13-15-7-3-1-4-8-15)20-19(17)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,22,23)/b12-11+
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n/an/an/an/a 3.77E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair
Aminoacyl-tRNA synthetase


(Thermus thermophilus)
BDBM43827
PNG
((E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid...)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-18(23)12-11-17-14-21(13-15-7-3-1-4-8-15)20-19(17)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,22,23)/b12-11+
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Article
PubMed
n/an/an/a 1.70E+6n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)


Article DOI: 10.1016/S1074-5521(02)00125-4
BindingDB Entry DOI: 10.7270/Q2R49P66
More data for this
Ligand-Target Pair