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BDBM61865 (6E)-4-(2-chlorobenzyl)-6-[(2-hydroxy-4-methyl-anilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one::(6E)-4-[(2-chlorophenyl)methyl]-6-[(2-hydroxy-4-methylanilino)methylidene]-2-nitro-1-cyclohexa-2,4-dienone::(6E)-4-[(2-chlorophenyl)methyl]-6-[(2-hydroxy-4-methylanilino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one::(6E)-4-[(2-chlorophenyl)methyl]-6-[[(4-methyl-2-oxidanyl-phenyl)amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one::4-(2-chlorobenzyl)-2-{(E)-[(2-hydroxy-4-methylphenyl)imino]methyl}-6-nitrophenol::MLS000685576::SMR000312540::cid_5847352

SMILES: Cc1ccc(\[NH+]=C\c2c[c-](Cc3ccccc3Cl)cc([N+]([O-])=O)c2=O)c(O)c1

InChI Key: InChIKey=QPVBVXLNVUNDTA-FSJBWODESA-O

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 = 61865   
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))
BDBM61865
PNG
((6E)-4-(2-chlorobenzyl)-6-[(2-hydroxy-4-methyl-ani...)
Show SMILES Cc1ccc(\[NH+]=C\c2c[c-](Cc3ccccc3Cl)cc([N+]([O-])=O)c2=O)c(O)c1
Show InChI InChI=1S/C21H16ClN2O4/c1-13-6-7-18(20(25)8-13)23-12-16-10-14(11-19(21(16)26)24(27)28)9-15-4-2-3-5-17(15)22/h2-8,10-12,25H,9H2,1H3/q-1/p+1/b23-12+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 9.13E+3n/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/Q2J67FCM
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM61865
PNG
((6E)-4-(2-chlorobenzyl)-6-[(2-hydroxy-4-methyl-ani...)
Show SMILES Cc1ccc(\[NH+]=C\c2c[c-](Cc3ccccc3Cl)cc([N+]([O-])=O)c2=O)c(O)c1
Show InChI InChI=1S/C21H16ClN2O4/c1-13-6-7-18(20(25)8-13)23-12-16-10-14(11-19(21(16)26)24(27)28)9-15-4-2-3-5-17(15)22/h2-8,10-12,25H,9H2,1H3/q-1/p+1/b23-12+
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 8.00E+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, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23F4N3R
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM61865
PNG
((6E)-4-(2-chlorobenzyl)-6-[(2-hydroxy-4-methyl-ani...)
Show SMILES Cc1ccc(\[NH+]=C\c2c[c-](Cc3ccccc3Cl)cc([N+]([O-])=O)c2=O)c(O)c1
Show InChI InChI=1S/C21H16ClN2O4/c1-13-6-7-18(20(25)8-13)23-12-16-10-14(11-19(21(16)26)24(27)28)9-15-4-2-3-5-17(15)22/h2-8,10-12,25H,9H2,1H3/q-1/p+1/b23-12+
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2.85E+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, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2W094D4
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM61865
PNG
((6E)-4-(2-chlorobenzyl)-6-[(2-hydroxy-4-methyl-ani...)
Show SMILES Cc1ccc(\[NH+]=C\c2c[c-](Cc3ccccc3Cl)cc([N+]([O-])=O)c2=O)c(O)c1
Show InChI InChI=1S/C21H16ClN2O4/c1-13-6-7-18(20(25)8-13)23-12-16-10-14(11-19(21(16)26)24(27)28)9-15-4-2-3-5-17(15)22/h2-8,10-12,25H,9H2,1H3/q-1/p+1/b23-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 7.22E+3n/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/Q2DF6PNW
More data for this
Ligand-Target Pair