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Articleid 50044046

Compile data set for download or QSAR
Found 7 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
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50366820
PNG
(BULLATACIN)
Show SMILES CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H]1CC[C@H](O1)[C@H](O)CCCCCCCCCC(O)CC1=CC(C)OC1=O
Show InChI InChI=1S/C36H64O7/c1-3-4-5-6-7-10-13-16-19-30(38)32-21-23-34(42-32)35-24-22-33(43-35)31(39)20-17-14-11-8-9-12-15-18-29(37)26-28-25-27(2)41-36(28)40/h25,27,29-35,37-39H,3-24,26H2,1-2H3/t27?,29?,30-,31-,32+,33+,34+,35+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004703
PNG
(COROSSOLINE | Corossoline)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)CCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30+,31+,32+,33+,34+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004702
PNG
((10S)-COROSSOLINE)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@@H](O)CCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30-,31+,32+,33+,34+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004705
PNG
(CIS-SOLAMIN)
Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31-,32+,33-,34+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004705
PNG
(CIS-SOLAMIN)
Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31-,32+,33-,34+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004701
PNG
((17R,18R,21R,22S)-reticulation-1)
Show SMILES CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C37H68O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3/t31-,33-,34+,35+,36+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004700
PNG
((17S, 18S, 21S, 22R)-reticulation-1)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@@H](O)CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C37H68O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3/t31-,33+,34-,35+,36+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%