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SMILES: OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)\C=C\c1cc(O)c(O)c(O)c1

InChI Key: InChIKey=XQGGTSYFQWFPNV-VMPITWQZSA-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 3 hits for monomerid = 50205391   
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
L-selectin


(Homo sapiens (Human))
BDBM50205391
PNG
((5-{2-[3-(3,4,5-trihydroxy-phenyl)-acryloylamino]-...)
Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)\C=C\c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C21H17NO6S/c23-16-9-12(10-17(24)21(16)28)5-8-19(25)22-15-4-2-1-3-14(15)18-7-6-13(29-18)11-20(26)27/h1-10,23-24,28H,11H2,(H,22,25)(H,26,27)/b8-5+
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Article
PubMed
n/an/a 2.13E+4n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human L-selectin after 2 hrs


J Med Chem 50: 1101-15 (2007)


Article DOI: 10.1021/jm060536g
BindingDB Entry DOI: 10.7270/Q2TB17Q6
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))
BDBM50205391
PNG
((5-{2-[3-(3,4,5-trihydroxy-phenyl)-acryloylamino]-...)
Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)\C=C\c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C21H17NO6S/c23-16-9-12(10-17(24)21(16)28)5-8-19(25)22-15-4-2-1-3-14(15)18-7-6-13(29-18)11-20(26)27/h1-10,23-24,28H,11H2,(H,22,25)(H,26,27)/b8-5+
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Article
PubMed
n/an/a 1.95E+4n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human P-selectin after 2 hrs


J Med Chem 50: 1101-15 (2007)


Article DOI: 10.1021/jm060536g
BindingDB Entry DOI: 10.7270/Q2TB17Q6
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))
BDBM50205391
PNG
((5-{2-[3-(3,4,5-trihydroxy-phenyl)-acryloylamino]-...)
Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)\C=C\c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C21H17NO6S/c23-16-9-12(10-17(24)21(16)28)5-8-19(25)22-15-4-2-1-3-14(15)18-7-6-13(29-18)11-20(26)27/h1-10,23-24,28H,11H2,(H,22,25)(H,26,27)/b8-5+
PDB
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Article
PubMed
n/an/a 4.86E+4n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human E-selectin after 2 hrs


J Med Chem 50: 1101-15 (2007)


Article DOI: 10.1021/jm060536g
BindingDB Entry DOI: 10.7270/Q2TB17Q6
More data for this
Ligand-Target Pair