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SMILES: [#6]-c1cc(ccc1\[#6]=[#6](\C#N)C#N)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1

InChI Key: InChIKey=CBCUKVUPBNRXTB-UHFFFAOYSA-N

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 = 51177   
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
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM51177
PNG
(2-(2-methyl-4-pyrrolidino-benzylidene)malononitril...)
Show SMILES [#6]-c1cc(ccc1\[#6]=[#6](\C#N)C#N)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C15H15N3/c1-12-8-15(18-6-2-3-7-18)5-4-14(12)9-13(10-16)11-17/h4-5,8-9H,2-3,6-7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.93E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM51177
PNG
(2-(2-methyl-4-pyrrolidino-benzylidene)malononitril...)
Show SMILES [#6]-c1cc(ccc1\[#6]=[#6](\C#N)C#N)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C15H15N3/c1-12-8-15(18-6-2-3-7-18)5-4-14(12)9-13(10-16)11-17/h4-5,8-9H,2-3,6-7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.16E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM51177
PNG
(2-(2-methyl-4-pyrrolidino-benzylidene)malononitril...)
Show SMILES [#6]-c1cc(ccc1\[#6]=[#6](\C#N)C#N)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C15H15N3/c1-12-8-15(18-6-2-3-7-18)5-4-14(12)9-13(10-16)11-17/h4-5,8-9H,2-3,6-7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair