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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Calcium-activated potassium channel subunit alpha-1' and Ligand = 'BDBM50347497'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium-activated potassium channel subunit alpha-1


(Rattus norvegicus)
BDBM50347497
PNG
(CHEMBL384903)
Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(19.17,-33.76,;20.68,-34.08,;21.16,-35.54,;22.67,-35.85,;23.69,-34.69,;23.2,-33.23,;21.7,-32.94,;21.22,-31.47,;19.75,-31.01,;18.41,-31.79,;17.08,-31.01,;17.08,-29.47,;18.41,-28.7,;19.74,-29.46,;21.21,-28.98,;22.12,-30.22,;23.66,-30.22,;15.74,-28.7,;14.4,-27.93,;16.51,-27.37,;14.98,-30.04,;25.2,-35,;26.69,-35.39,;25.55,-33.5,;24.86,-36.5,)|
Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
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Article
PubMed
n/an/a 4.37E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Induction of BK channel mediated vasorelaxation activity in Kcl-induced contraction in Wistar rat aorta


Eur J Med Chem 43: 792-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.005
BindingDB Entry DOI: 10.7270/Q2JM2BVW
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1


(Rattus norvegicus)
BDBM50347497
PNG
(CHEMBL384903)
Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(19.17,-33.76,;20.68,-34.08,;21.16,-35.54,;22.67,-35.85,;23.69,-34.69,;23.2,-33.23,;21.7,-32.94,;21.22,-31.47,;19.75,-31.01,;18.41,-31.79,;17.08,-31.01,;17.08,-29.47,;18.41,-28.7,;19.74,-29.46,;21.21,-28.98,;22.12,-30.22,;23.66,-30.22,;15.74,-28.7,;14.4,-27.93,;16.51,-27.37,;14.98,-30.04,;25.2,-35,;26.69,-35.39,;25.55,-33.5,;24.86,-36.5,)|
Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
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Article
PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


Assay Description
Activation of large-conductance calcium-activated potassium channel-mediated vasorelaxation in endothelium-denuded normotensive Wistar rat thoracic a...


J Med Chem 51: 5085-92 (2008)


Article DOI: 10.1021/jm701605f
BindingDB Entry DOI: 10.7270/Q2R49S16
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1


(Rattus norvegicus)
BDBM50347497
PNG
(CHEMBL384903)
Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(19.17,-33.76,;20.68,-34.08,;21.16,-35.54,;22.67,-35.85,;23.69,-34.69,;23.2,-33.23,;21.7,-32.94,;21.22,-31.47,;19.75,-31.01,;18.41,-31.79,;17.08,-31.01,;17.08,-29.47,;18.41,-28.7,;19.74,-29.46,;21.21,-28.98,;22.12,-30.22,;23.66,-30.22,;15.74,-28.7,;14.4,-27.93,;16.51,-27.37,;14.98,-30.04,;25.2,-35,;26.69,-35.39,;25.55,-33.5,;24.86,-36.5,)|
Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
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Article
PubMed
n/an/a 5.13E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Activation of BK channel in Wistar rat thoracic aorta assessed as relaxation of KCl-induced contraction


Eur J Med Chem 43: 2618-26 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.032
BindingDB Entry DOI: 10.7270/Q2WM1FMQ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit alpha-1


(Homo sapiens (Human))
BDBM50347497
PNG
(CHEMBL384903)
Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(19.17,-33.76,;20.68,-34.08,;21.16,-35.54,;22.67,-35.85,;23.69,-34.69,;23.2,-33.23,;21.7,-32.94,;21.22,-31.47,;19.75,-31.01,;18.41,-31.79,;17.08,-31.01,;17.08,-29.47,;18.41,-28.7,;19.74,-29.46,;21.21,-28.98,;22.12,-30.22,;23.66,-30.22,;15.74,-28.7,;14.4,-27.93,;16.51,-27.37,;14.98,-30.04,;25.2,-35,;26.69,-35.39,;25.55,-33.5,;24.86,-36.5,)|
Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
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Article
PubMed
n/an/a 5.89E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Activation of BK channel-mediated vasorelaxation activity assessed as reduction in KCl-induced contractile tone


Bioorg Med Chem 17: 319-25 (2008)


Article DOI: 10.1016/j.bmc.2008.10.068
BindingDB Entry DOI: 10.7270/Q2P84D59
More data for this
Ligand-Target Pair