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BDBM50112212 1,1,1-trifluoro-2-bromo-2-chloroethane::1,1,1-trifluoro-2-chloro-2-bromoethane::1-bromo-1-chloro-2,2,2-trifluoroethane::2,2,2-trifluoro-1-chloro-1-bromoethane::2-bromo-2-chloro-1,1,1-trifluoroethane::CHEMBL931::Fluothane::HALOTHANE::Narcotane::Phthorothanum::Rhodialothan::bromochlorotrifluoroethane

SMILES: FC(F)(F)C(Cl)Br

InChI Key: InChIKey=BCQZXOMGPXTTIC-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 6 PDB IDs match this monomer.

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 3 hits for monomerid = 50112212   
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
Serum albumin


(Homo sapiens)
BDBM50112212
PNG
(1,1,1-trifluoro-2-bromo-2-chloroethane | 1,1,1-tri...)
Show SMILES FC(F)(F)C(Cl)Br
Show InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
PDB
MMDB

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KEGG

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DrugBank
KEGG
PC cid
PC sid
PDB
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PDB
PubMed
n/an/a 2.90E+6n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcium channel (Type L)


(HUMAN)
BDBM50112212
PNG
(1,1,1-trifluoro-2-bromo-2-chloroethane | 1,1,1-tri...)
Show SMILES FC(F)(F)C(Cl)Br
Show InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.45E+7n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...


J Appl Toxicol 32: 858-66 (2012)

More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50112212
PNG
(1,1,1-trifluoro-2-bromo-2-chloroethane | 1,1,1-tri...)
Show SMILES FC(F)(F)C(Cl)Br
Show InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.80E+6n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...


J Appl Toxicol 32: 858-66 (2012)

More data for this
Ligand-Target Pair