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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cytochrome c oxidase subunit 1' and Ligand = 'BDBM50140321'   
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
Cytochrome c oxidase subunit 1


(Homo sapiens (Human))
BDBM50140321
PNG
((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1
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Article
PubMed
n/an/a 280n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114258
BindingDB Entry DOI: 10.7270/Q2KS6WMX
More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 1


(Homo sapiens (Human))
BDBM50140321
PNG
((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114258
BindingDB Entry DOI: 10.7270/Q2KS6WMX
More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 1


(Homo sapiens (Human))
BDBM50140321
PNG
((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114258
BindingDB Entry DOI: 10.7270/Q2KS6WMX
More data for this
Ligand-Target Pair