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PubMed code 17692999

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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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MCE
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PC sid
UniChem

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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)		BDBM50412110
PNG
(CHEMBL454860)
Show SMILES COc1ccc(cc1NC(=O)Cc1ccccc1O)[N+]([O-])=O
Show InChI InChI=1S/C15H14N2O5/c1-22-14-7-6-11(17(20)21)9-12(14)16-15(19)8-10-4-2-3-5-13(10)18/h2-7,9,18H,8H2,1H3,(H,16,19)
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n/an/a 1.82E+4n/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)		BDBM50412109
PNG
(CHEMBL455120)
Show SMILES Cc1cc(ccc1NC(=O)Cc1ccccc1O)[N+]([O-])=O
Show InChI InChI=1S/C15H14N2O4/c1-10-8-12(17(20)21)6-7-13(10)16-15(19)9-11-4-2-3-5-14(11)18/h2-8,18H,9H2,1H3,(H,16,19)
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n/an/a 2.00E+4n/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)		BDBM50412108
PNG
(CHEMBL455121)
Show SMILES Oc1ccccc1CC(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O4/c17-13-4-2-1-3-10(13)9-14(18)15-11-5-7-12(8-6-11)16(19)20/h1-8,17H,9H2,(H,15,18)
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n/an/a 2.29E+4n/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)		BDBM50412111
PNG
(CHEMBL452258)
Show SMILES COc1ccccc1CC(=O)Nc1cc(C)ccc1O
Show InChI InChI=1S/C16H17NO3/c1-11-7-8-14(18)13(9-11)17-16(19)10-12-5-3-4-6-15(12)20-2/h3-9,18H,10H2,1-2H3,(H,17,19)
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n/an/a 2.45E+4n/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)		BDBM50412107
PNG
(CHEMBL452008)
Show SMILES Fc1ccccc1NC(=O)Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F4NO/c16-12-7-3-4-8-13(12)20-14(21)9-10-5-1-2-6-11(10)15(17,18)19/h1-8H,9H2,(H,20,21)
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n/an/a 2.75E+4n/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
* indicates data uncertainty>20%