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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: A0A024R9Z0   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NADH-ubiquinone oxidoreductase MLRQ subunit


(Homo sapiens (Human))
BDBM50172374
PNG
(2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...)
Show SMILES COc1cc(CC(=C)c2ccc3OC(C)(C)CCc3c2)cc(OC)c1OC
Show InChI InChI=1S/C23H28O4/c1-15(11-16-12-20(24-4)22(26-6)21(13-16)25-5)17-7-8-19-18(14-17)9-10-23(2,3)27-19/h7-8,12-14H,1,9-11H2,2-6H3
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n/an/a 18n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH ubiquinone oxidoreductase


J Med Chem 48: 5613-38 (2005)


Article DOI: 10.1021/jm050524f
BindingDB Entry DOI: 10.7270/Q2V988V1
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase MLRQ subunit


(Homo sapiens (Human))
BDBM50172374
PNG
(2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...)
Show SMILES COc1cc(CC(=C)c2ccc3OC(C)(C)CCc3c2)cc(OC)c1OC
Show InChI InChI=1S/C23H28O4/c1-15(11-16-12-20(24-4)22(26-6)21(13-16)25-5)17-7-8-19-18(14-17)9-10-23(2,3)27-19/h7-8,12-14H,1,9-11H2,2-6H3
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n/an/a 18n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH-ubiquinone oxidoreductase


J Med Chem 48: 5613-38 (2005)


Article DOI: 10.1021/jm050524f
BindingDB Entry DOI: 10.7270/Q2V988V1
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase MLRQ subunit


(Homo sapiens (Human))
BDBM50172381
PNG
(2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...)
Show SMILES COc1cc(COC(=O)c2ccc3OC(C)(C)C=Cc3c2)cc(OC)c1OC
Show InChI InChI=1S/C22H24O6/c1-22(2)9-8-15-12-16(6-7-17(15)28-22)21(23)27-13-14-10-18(24-3)20(26-5)19(11-14)25-4/h6-12H,13H2,1-5H3
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n/an/a 55n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH-ubiquinone oxidoreductase


J Med Chem 48: 5613-38 (2005)


Article DOI: 10.1021/jm050524f
BindingDB Entry DOI: 10.7270/Q2V988V1
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase MLRQ subunit


(Homo sapiens (Human))
BDBM50172381
PNG
(2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...)
Show SMILES COc1cc(COC(=O)c2ccc3OC(C)(C)C=Cc3c2)cc(OC)c1OC
Show InChI InChI=1S/C22H24O6/c1-22(2)9-8-15-12-16(6-7-17(15)28-22)21(23)27-13-14-10-18(24-3)20(26-5)19(11-14)25-4/h6-12H,13H2,1-5H3
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n/an/a 55n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH ubiquinone oxidoreductase


J Med Chem 48: 5613-38 (2005)


Article DOI: 10.1021/jm050524f
BindingDB Entry DOI: 10.7270/Q2V988V1
More data for this
Ligand-Target Pair
Mitochondrial complex I (NADH dehydrogenase)


(Homo sapiens-Homo sapiens (Human))
BDBM50490809
PNG
(R-(+)-MARMIN-6'-CIS-VACCENOATE | R-(+)-Marmin-6''-...)
Show SMILES CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](CC\C(C)=C\COc1ccc2ccc(=O)oc2c1)C(C)(C)O
Show InChI InChI=1S/C37H56O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(38)43-34(37(3,4)40)25-21-30(2)27-28-41-32-24-22-31-23-26-36(39)42-33(31)29-32/h10-11,22-24,26-27,29,34,40H,5-9,12-21,25,28H2,1-4H3/b11-10-,30-27+/t34-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 ...


Bioorg Med Chem 21: 1795-803 (2013)


Article DOI: 10.1016/j.bmc.2013.01.048
BindingDB Entry DOI: 10.7270/Q2086873
More data for this
Ligand-Target Pair