Found 5 hits Enz. Inhib. hit(s) with Target = 'NADH-ubiquinone oxidoreductase chain 4' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
NADH-ubiquinone oxidoreductase chain 4
(Homo sapiens (Human)) | BDBM50135527
((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C |r| Show InChI InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 | PDB
Reactome pathway
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| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of NADH dehydrogenase |
Bioorg Med Chem Lett 2: 593-596 (1992)
Article DOI: 10.1016/S0960-894X(01)81204-X
BindingDB Entry DOI: 10.7270/Q2H70G9H |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 4
(Homo sapiens (Human)) | BDBM50280476
((2R,6aS,12aS)-2-Isopropyl-8,9-dimethoxy-6a-methyl-...)Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(C)c2cc1OC)C(C)C Show InChI InChI=1S/C24H26O6/c1-12(2)17-8-14-16(29-17)7-6-13-22(14)30-21-11-28-18-10-20(27-5)19(26-4)9-15(18)24(21,3)23(13)25/h6-7,9-10,12,17,21H,8,11H2,1-5H3/t17-,21-,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of NADH dehydrogenase |
Bioorg Med Chem Lett 2: 593-596 (1992)
Article DOI: 10.1016/S0960-894X(01)81204-X
BindingDB Entry DOI: 10.7270/Q2H70G9H |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 4
(Homo sapiens (Human)) | BDBM50280475
((2R,6aS,12aS)-2-Isopropenyl-8,9-dimethoxy-6a-methy...)Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(C)c2cc1OC)C(C)=C Show InChI InChI=1S/C24H24O6/c1-12(2)17-8-14-16(29-17)7-6-13-22(14)30-21-11-28-18-10-20(27-5)19(26-4)9-15(18)24(21,3)23(13)25/h6-7,9-10,17,21H,1,8,11H2,2-5H3/t17-,21-,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of NADH dehydrogenase |
Bioorg Med Chem Lett 2: 593-596 (1992)
Article DOI: 10.1016/S0960-894X(01)81204-X
BindingDB Entry DOI: 10.7270/Q2H70G9H |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 4
(Homo sapiens (Human)) | BDBM50280474
(6-isopropenyl-16,17-dimethoxy-2,7,20-trioxahexacyc...)Show SMILES COc1cc2OCC34CC3(C(=O)c3ccc5O[C@H](Cc5c3O4)C(C)=C)c2cc1OC Show InChI InChI=1S/C24H22O6/c1-12(2)17-7-14-16(29-17)6-5-13-21(14)30-23-10-24(23,22(13)25)15-8-19(26-3)20(27-4)9-18(15)28-11-23/h5-6,8-9,17H,1,7,10-11H2,2-4H3/t17-,23?,24?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of NADH dehydrogenase |
Bioorg Med Chem Lett 2: 593-596 (1992)
Article DOI: 10.1016/S0960-894X(01)81204-X
BindingDB Entry DOI: 10.7270/Q2H70G9H |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 4
(Homo sapiens (Human)) | BDBM50366294
(CHEMBL1794895)Show SMILES COc1cc2OC[C@@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(C)c2cc1OC)C(C)=C Show InChI InChI=1S/C24H24O6/c1-12(2)17-8-14-16(29-17)7-6-13-22(14)30-21-11-28-18-10-20(27-5)19(26-4)9-15(18)24(21,3)23(13)25/h6-7,9-10,17,21H,1,8,11H2,2-5H3/t17-,21+,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of NADH dehydrogenase |
Bioorg Med Chem Lett 2: 593-596 (1992)
Article DOI: 10.1016/S0960-894X(01)81204-X
BindingDB Entry DOI: 10.7270/Q2H70G9H |
More data for this
Ligand-Target Pair | |
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