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BDBM50250904 CHEMBL460657::Elaidinsaeure::elaidic acid::trans-Delta(9)-octadecenoic acid

SMILES: CCCCCCCC\C=C\CCCCCCCC(O)=O

InChI Key: InChIKey=ZQPPMHVWECSIRJ-MDZDMXLPSA-N

Data: 1 IC50  1 Kd

PDB links: 6 PDB IDs match this monomer.

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 = 50250904   
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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50250904
PNG
(CHEMBL460657 | Elaidinsaeure | elaidic acid | tran...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/an/a 5.80E+4n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)


BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50250904
PNG
(CHEMBL460657 | Elaidinsaeure | elaidic acid | tran...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 (unknown origin)


J Nat Prod 65: 1715-8 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7HFB
More data for this
Ligand-Target Pair