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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50030151   
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
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(Bos taurus)
BDBM50291655
PNG
((R)-3-{(2R,11R)-2,11-Dihydroxy-11-[(2S,5R,2'S,5'R)...)
Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCC[C@@H](O)CC1=C[C@@H](C)OC1=O |t:37|
Show InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28(36)25-27-24-26(2)40-35(27)39/h24,26,28-34,36-38H,3-23,25H2,1-2H3/t26-,28-,29+,30-,31-,32-,33+,34+/m1/s1
PDB

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Article
n/an/a 0.330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart


Bioorg Med Chem Lett 7: 1113-1118 (1997)


Article DOI: 10.1016/S0960-894X(97)00171-6
BindingDB Entry DOI: 10.7270/Q20P101B
More data for this
Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(Bos taurus)
BDBM50291656
PNG
((R)-3-{(R)-13-Hydroxy-13-[(2S,5R,2'S,5'R)-5'-((S)-...)
Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@@H](C)OC1=O |t:38|
Show InChI InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3/t29-,31+,32-,33-,34-,35+,36+/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart


Bioorg Med Chem Lett 7: 1113-1118 (1997)


Article DOI: 10.1016/S0960-894X(97)00171-6
BindingDB Entry DOI: 10.7270/Q20P101B
More data for this
Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(Bos taurus)
BDBM50291654
PNG
((R)-3-{(2R,13R)-2,13-Dihydroxy-13-[(2S,5R,2'S,5'R)...)
Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@@H](O)CC1=C[C@@H](C)OC1=O |t:39|
Show InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30-,31+,32-,33-,34-,35+,36+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart


Bioorg Med Chem Lett 7: 1113-1118 (1997)


Article DOI: 10.1016/S0960-894X(97)00171-6
BindingDB Entry DOI: 10.7270/Q20P101B
More data for this
Ligand-Target Pair