BindingDB logo
myBDB logout

null

SMILES: COC1=C(OC)C(=O)C(CN(C)C(=O)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O

InChI Key: InChIKey=ZFOIEBGTJPYBHD-UHFFFAOYSA-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 2 hits for monomerid = 50488011   
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
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488011
PNG
(CHEMBL2272021)
Show SMILES COC1=C(OC)C(=O)C(CN(C)C(=O)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:32|
Show InChI InChI=1S/C28H31NO6/c1-17-22(24(31)26(34-7)25(33-6)23(17)30)16-29(5)27(32)18-8-12-20(13-9-18)35-21-14-10-19(11-15-21)28(2,3)4/h8-15H,16H2,1-7H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488011
PNG
(CHEMBL2272021)
Show SMILES COC1=C(OC)C(=O)C(CN(C)C(=O)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:32|
Show InChI InChI=1S/C28H31NO6/c1-17-22(24(31)26(34-7)25(33-6)23(17)30)16-29(5)27(32)18-8-12-20(13-9-18)35-21-14-10-19(11-15-21)28(2,3)4/h8-15H,16H2,1-7H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-DU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair