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BDBM50422120 CHEMBL2303952

SMILES: OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(OCC(O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=WUCDVZXLANJJLV-IYNMRWEGNA-N

Data: 2 IC50

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 = 50422120   
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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50422120
PNG
(CHEMBL2303952)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(OCC(O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1/C20H22O9/c21-9-15-17(24)18(25)19(26)20(29-15)28-14-4-2-1-3-13(14)11-5-7-12(8-6-11)27-10-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+7n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin P


J Med Chem 38: 4976-84 (1996)


Article DOI: 10.1021/jm00026a004
BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50422120
PNG
(CHEMBL2303952)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(OCC(O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1/C20H22O9/c21-9-15-17(24)18(25)19(26)20(29-15)28-14-4-2-1-3-13(14)11-5-7-12(8-6-11)27-10-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+6n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of HL60 (human leukemia) cell binding to human recombinant e-selectin.


J Med Chem 38: 4976-84 (1996)


Article DOI: 10.1021/jm00026a004
BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair