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SMILES: C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F

InChI Key: InChIKey=LVEDGSIMCSQNNX-INIZCTEOSA-N

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 10 hits for monomerid = 86249   
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
Calcium-activated potassium channel subunit beta


(GUINEA PIG)		BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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 451n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)		BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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 630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))		BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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n/an/an/an/a 437n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Channel opening activity at human bladder Kir6.2 channel containing SUR2B expressed in L cells by FLIPR assay

J Med Chem 50: 6265-73 (2007)


Article DOI: 10.1021/jm7010194
BindingDB Entry DOI: 10.7270/Q2VM4G2S
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial


(Homo sapiens (Human))		BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay

J Med Chem 42: 2741-6 (1999)


Article DOI: 10.1021/jm9902584
BindingDB Entry DOI: 10.7270/Q2G73HG0
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))		BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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n/an/an/an/a 1.35E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay

J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))		BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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n/an/an/an/a 295n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity against pig bladder KATP channel opening assessed as ability to relax spontaneous bladder contraction

J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))		BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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n/an/an/an/a 2.75E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity against pig bladder KATP channel opening assessed as ability to relax field-stimulated pig detrusor

J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))		BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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n/an/a 2.14E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...

Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))		BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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n/an/an/an/a 398n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B

Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial


(Homo sapiens (Human))		BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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n/an/an/an/a 8.30E+3n/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vivo inhibion of pyruvate dehydrogenase kinase, increased oxidation of lactate

J Med Chem 42: 2741-6 (1999)


Article DOI: 10.1021/jm9902584
BindingDB Entry DOI: 10.7270/Q2G73HG0
More data for this
Ligand-Target Pair