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BDBM50159263 1,4-dichlorobenzene::CHEMBL190982::PARA::PDCB::Paradichlorbenzol::p-Dichlorbenzol::p-chlorophenyl chloride::paradichlorobenzene

SMILES: Clc1ccc(Cl)cc1

InChI Key: InChIKey=OCJBOOLMMGQPQU-UHFFFAOYSA-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 = 50159263   
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
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50159263
PNG
(1,4-dichlorobenzene | CHEMBL190982 | PARA | PDCB |...)
Show SMILES Clc1ccc(Cl)cc1
Show InChI InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
PDB
MMDB

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PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cytochrome P450 2A6


J Med Chem 48: 440-9 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159263
PNG
(1,4-dichlorobenzene | CHEMBL190982 | PARA | PDCB |...)
Show SMILES Clc1ccc(Cl)cc1
Show InChI InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
PDB
MMDB

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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Eur J Med Chem 44: 1941-51 (2009)

More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159263
PNG
(1,4-dichlorobenzene | CHEMBL190982 | PARA | PDCB |...)
Show SMILES Clc1ccc(Cl)cc1
Show InChI InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


J Med Chem 48: 440-9 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50159263
PNG
(1,4-dichlorobenzene | CHEMBL190982 | PARA | PDCB |...)
Show SMILES Clc1ccc(Cl)cc1
Show InChI InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2A6


Eur J Med Chem 44: 1941-51 (2009)

More data for this
Ligand-Target Pair