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BDBM50019 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile::2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-oxobutanenitrile::2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-3-keto-butyronitrile::2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-3-oxobutanenitrile::MLS000057091::SMR000064178::cid_5643743

SMILES: Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1

InChI Key: InChIKey=KLZZBNOXYHEURB-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 50019   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50019
PNG
(2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dime...)
Show SMILES Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1
Show InChI InChI=1/C18H15N7OS/c1-10-7-11(2)25-17(20-10)23-24-18(25)27-9-15(26)12(8-19)16-21-13-5-3-4-6-14(13)22-16/h3-7,12H,9H2,1-2H3,(H,21,22)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.15E+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: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM50019
PNG
(2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dime...)
Show SMILES Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1
Show InChI InChI=1/C18H15N7OS/c1-10-7-11(2)25-17(20-10)23-24-18(25)27-9-15(26)12(8-19)16-21-13-5-3-4-6-14(13)22-16/h3-7,12H,9H2,1-2H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 5.01E+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, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.08.001
BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM50019
PNG
(2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dime...)
Show SMILES Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1
Show InChI InChI=1/C18H15N7OS/c1-10-7-11(2)25-17(20-10)23-24-18(25)27-9-15(26)12(8-19)16-21-13-5-3-4-6-14(13)22-16/h3-7,12H,9H2,1-2H3,(H,21,22)
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.98E+4n/an/an/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM50019
PNG
(2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dime...)
Show SMILES Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1
Show InChI InChI=1/C18H15N7OS/c1-10-7-11(2)25-17(20-10)23-24-18(25)27-9-15(26)12(8-19)16-21-13-5-3-4-6-14(13)22-16/h3-7,12H,9H2,1-2H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.80E+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