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BDBM50315563 CHEMBL1088844::{[(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl](phenyl)phosphoryl}benzene

SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=BPCNGVCAHAIZEE-COPCDDAFSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50315563   
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
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50315563
PNG
(CHEMBL1088844 | {[(1S,2S,5R)-5-methyl-2-(propan-2-...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
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PC sid
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Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 ion channel after 3 mins by high-throughput planar patch clamp assay


ACS Med Chem Lett 3: 769-773 (2012)


Article DOI: 10.1021/ml3001787
BindingDB Entry DOI: 10.7270/Q2ST7QXG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50315563
PNG
(CHEMBL1088844 | {[(1S,2S,5R)-5-methyl-2-(propan-2-...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair