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BDBM50214610 3,3',4,4',5-Pentachlorobiphenyl::3,3',4,4',5-pentachloro-1,1'-biphenyl::3,4,3',4',5'-Pentachlorobiphenyl::3,4,5,3',4'-Penta coplanar polychlorinated biphenyl::3,4,5,3',4'-Pentachlorobiphenyl::CHEMBL342696::PCB 126

SMILES: Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1

InChI Key: InChIKey=REHONNLQRWTIFF-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50214610   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50214610
PNG
(3,3',4,4',5-Pentachlorobiphenyl | 3,3',4,4',5-pent...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H
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Article
PubMed
n/an/an/an/a 130n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)


Article DOI: 10.1021/jm970488n
BindingDB Entry DOI: 10.7270/Q2BZ6784
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50214610
PNG
(3,3',4,4',5-Pentachlorobiphenyl | 3,3',4,4',5-pent...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of CYP1B1


Bioorg Med Chem 15: 5047-60 (2007)


Article DOI: 10.1016/j.bmc.2007.05.046
BindingDB Entry DOI: 10.7270/Q20R9Q7F
More data for this
Ligand-Target Pair