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BDBM50053194 CHEMBL301956::[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-ylmethyl]-dimethyl-amine

SMILES: CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12

InChI Key: InChIKey=SPLFGEFBTYQRPO-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50053194   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50053194
PNG
(CHEMBL301956 | [5-Chloro-1-(4-fluoro-phenyl)-1H-in...)
Show SMILES CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H16ClFN2/c1-20(2)10-12-11-21(15-6-4-14(19)5-7-15)17-8-3-13(18)9-16(12)17/h3-9,11H,10H2,1-2H3
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Article
PubMed
n/an/a 11.0n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.042
BindingDB Entry DOI: 10.7270/Q2WQ052W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50053194
PNG
(CHEMBL301956 | [5-Chloro-1-(4-fluoro-phenyl)-1H-in...)
Show SMILES CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H16ClFN2/c1-20(2)10-12-11-21(15-6-4-14(19)5-7-15)17-8-3-13(18)9-16(12)17/h3-9,11H,10H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to serotonin 5-hydroxytryptamine 2A receptors using a radioligand [3H]-ketanserin binding assay in rat cortical membranes


J Med Chem 39: 3723-38 (1996)


Article DOI: 10.1021/jm960159f
BindingDB Entry DOI: 10.7270/Q2CZ368W
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50053194
PNG
(CHEMBL301956 | [5-Chloro-1-(4-fluoro-phenyl)-1H-in...)
Show SMILES CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H16ClFN2/c1-20(2)10-12-11-21(15-6-4-14(19)5-7-15)17-8-3-13(18)9-16(12)17/h3-9,11H,10H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1


Bioorg Med Chem Lett 13: 1829-35 (2003)


BindingDB Entry DOI: 10.7270/Q2TX3FX0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50053194
PNG
(CHEMBL301956 | [5-Chloro-1-(4-fluoro-phenyl)-1H-in...)
Show SMILES CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H16ClFN2/c1-20(2)10-12-11-21(15-6-4-14(19)5-7-15)17-8-3-13(18)9-16(12)17/h3-9,11H,10H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 using a [3H]-spiperone binding assay in rat cortical membranes


J Med Chem 39: 3723-38 (1996)


Article DOI: 10.1021/jm960159f
BindingDB Entry DOI: 10.7270/Q2CZ368W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50053194
PNG
(CHEMBL301956 | [5-Chloro-1-(4-fluoro-phenyl)-1H-in...)
Show SMILES CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H16ClFN2/c1-20(2)10-12-11-21(15-6-4-14(19)5-7-15)17-8-3-13(18)9-16(12)17/h3-9,11H,10H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


J Med Chem 39: 3723-38 (1996)


Article DOI: 10.1021/jm960159f
BindingDB Entry DOI: 10.7270/Q2CZ368W
More data for this
Ligand-Target Pair