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BDBM50242056 CHEMBL469856::fuscinarin

SMILES: CC1OC(=O)c2c1c(O)c(O)c1OC(C)(C)CCc21

InChI Key: InChIKey=VXRIEWIAVSRHJN-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50242056   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50242056
PNG
(CHEMBL469856 | fuscinarin)
Show SMILES CC1OC(=O)c2c1c(O)c(O)c1OC(C)(C)CCc21
Show InChI InChI=1S/C14H16O5/c1-6-8-9(13(17)18-6)7-4-5-14(2,3)19-12(7)11(16)10(8)15/h6,15-16H,4-5H2,1-3H3
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MIP1alpha binding to human CCR5 receptor


J Nat Prod 67: 1036-8 (2004)


Article DOI: 10.1021/np049974l
BindingDB Entry DOI: 10.7270/Q29Z94P3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50242056
PNG
(CHEMBL469856 | fuscinarin)
Show SMILES CC1OC(=O)c2c1c(O)c(O)c1OC(C)(C)CCc21
Show InChI InChI=1S/C14H16O5/c1-6-8-9(13(17)18-6)7-4-5-14(2,3)19-12(7)11(16)10(8)15/h6,15-16H,4-5H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



MerLion Pharmaceuticals Pte Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human-MIP1alpha from human CCR5 receptor expressed in CHO cells by SPA


J Nat Prod 66: 1116-7 (2003)


Article DOI: 10.1021/np030146m
BindingDB Entry DOI: 10.7270/Q2VX0G82
More data for this
Ligand-Target Pair