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BDBM88869 2-N,4-N-bis[(E)-(3-methoxyphenyl)methylideneamino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide::MLS000585379::N'~2~,N'~4~-bis[(1E)-(3-methoxyphenyl)methylene]-3,5-dimethyl-1H-pyrrole-2,4-dicarbohydrazide::N,N'-bis[(E)-m-anisylideneamino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide::N2,N4-bis[(E)-(3-methoxyphenyl)methylideneamino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide::SMR000204142::cid_20846841

SMILES: COc1cccc(\C=N\NC(=O)c2[nH]c(C)c(C(=O)N\N=C\c3cccc(OC)c3)c2C)c1

InChI Key: InChIKey=MYJYHWXNINGPAF-BKHCZYBLSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 88869   
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))
BDBM88869
PNG
(2-N,4-N-bis[(E)-(3-methoxyphenyl)methylideneamino]...)
Show SMILES COc1cccc(\C=N\NC(=O)c2[nH]c(C)c(C(=O)N\N=C\c3cccc(OC)c3)c2C)c1
Show InChI InChI=1S/C24H25N5O4/c1-15-21(23(30)28-25-13-17-7-5-9-19(11-17)32-3)16(2)27-22(15)24(31)29-26-14-18-8-6-10-20(12-18)33-4/h5-14,27H,1-4H3,(H,28,30)(H,29,31)/b25-13+,26-14+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/a 1.41E+3n/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))
BDBM88869
PNG
(2-N,4-N-bis[(E)-(3-methoxyphenyl)methylideneamino]...)
Show SMILES COc1cccc(\C=N\NC(=O)c2[nH]c(C)c(C(=O)N\N=C\c3cccc(OC)c3)c2C)c1
Show InChI InChI=1S/C24H25N5O4/c1-15-21(23(30)28-25-13-17-7-5-9-19(11-17)32-3)16(2)27-22(15)24(31)29-26-14-18-8-6-10-20(12-18)33-4/h5-14,27H,1-4H3,(H,28,30)(H,29,31)/b25-13+,26-14+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a>1.00E+5n/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