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BDBM88875 (E)-2-Cyano-N-(3-imidazol-1-yl-propyl)-3-[3-(3-methoxy-phenyl)-1-phenyl-1H-pyrazol-4-yl]-acrylamide::(E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylamide::(E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide::(E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide::(E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide::MLS000589089::SMR000219673::cid_5940104

SMILES: COc1cccc(c1)-c1nn(cc1\C=C(/C#N)C(=O)NCCCn1ccnc1)-c1ccccc1

InChI Key: InChIKey=QFKJSQQSGRZHAG-RCCKNPSSSA-N

Data: 2 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 2 hits for monomerid = 88875   
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
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM88875
PNG
((E)-2-Cyano-N-(3-imidazol-1-yl-propyl)-3-[3-(3-met...)
Show SMILES COc1cccc(c1)-c1nn(cc1\C=C(/C#N)C(=O)NCCCn1ccnc1)-c1ccccc1
Show InChI InChI=1S/C26H24N6O2/c1-34-24-10-5-7-20(16-24)25-22(18-32(30-25)23-8-3-2-4-9-23)15-21(17-27)26(33)29-11-6-13-31-14-12-28-19-31/h2-5,7-10,12,14-16,18-19H,6,11,13H2,1H3,(H,29,33)/b21-15+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.89E+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
Thrombin


(Bos taurus (Bovine))
BDBM88875
PNG
((E)-2-Cyano-N-(3-imidazol-1-yl-propyl)-3-[3-(3-met...)
Show SMILES COc1cccc(c1)-c1nn(cc1\C=C(/C#N)C(=O)NCCCn1ccnc1)-c1ccccc1
Show InChI InChI=1S/C26H24N6O2/c1-34-24-10-5-7-20(16-24)25-22(18-32(30-25)23-8-3-2-4-9-23)15-21(17-27)26(33)29-11-6-13-31-14-12-28-19-31/h2-5,7-10,12,14-16,18-19H,6,11,13H2,1H3,(H,29,33)/b21-15+
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.44E+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