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BDBM80769 1-[(4-chlorobenzylidene)amino]-2-imino-3-(4-methylphenyl)-5-[(4-methylphenyl)imino]-4-imidazolidinethione::1-[(4-chlorobenzylidene)amino]-2-imino-3-(p-tolyl)-5-(p-tolylimino)imidazolidine-4-thione::1-[(4-chlorophenyl)methylideneamino]-2-imino-3-(4-methylphenyl)-5-(4-methylphenyl)imino-4-imidazolidinethione::1-[(4-chlorophenyl)methylideneamino]-2-imino-3-(4-methylphenyl)-5-(4-methylphenyl)iminoimidazolidine-4-thione::2-azanylidene-1-[(4-chlorophenyl)methylideneamino]-3-(4-methylphenyl)-5-(4-methylphenyl)imino-imidazolidine-4-thione::MLS000550515::SMR000115359::cid_1777481

SMILES: Cc1ccc(cc1)\N=C1/N(N=Cc2ccc(Cl)cc2)C(=N)N(C1=S)c1ccc(C)cc1

InChI Key: InChIKey=QMQNOQWCKYAACP-ILZOMDRPSA-N

Data: 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 2 hits for monomerid = 80769   
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
Hexokinase type I


(Homo sapiens)
BDBM80769
PNG
(1-[(4-chlorobenzylidene)amino]-2-imino-3-(4-methyl...)
Show SMILES Cc1ccc(cc1)\N=C1/N(N=Cc2ccc(Cl)cc2)C(=N)N(C1=S)c1ccc(C)cc1
Show InChI InChI=1S/C24H20ClN5S/c1-16-3-11-20(12-4-16)28-22-23(31)29(21-13-5-17(2)6-14-21)24(26)30(22)27-15-18-7-9-19(25)10-8-18/h3-15,26H,1-2H3/b26-24?,27-15?,28-22-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a>8.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2765CSM
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80769
PNG
(1-[(4-chlorobenzylidene)amino]-2-imino-3-(4-methyl...)
Show SMILES Cc1ccc(cc1)\N=C1/N(N=Cc2ccc(Cl)cc2)C(=N)N(C1=S)c1ccc(C)cc1
Show InChI InChI=1S/C24H20ClN5S/c1-16-3-11-20(12-4-16)28-22-23(31)29(21-13-5-17(2)6-14-21)24(26)30(22)27-15-18-7-9-19(25)10-8-18/h3-15,26H,1-2H3/b26-24?,27-15?,28-22-
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a>8.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2R78CQV
More data for this
Ligand-Target Pair