BindingDB logo
myBDB logout

null

SMILES: OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1

InChI Key: InChIKey=SERRSGRGANILJR-UHFFFAOYSA-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 = 50205383   
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))
BDBM50205383
PNG
((5-{4-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)
Show SMILES OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-19(23(30)24(20)31)15-2-1-3-16(12-15)25(32)26-17-6-4-14(5-7-17)21-11-8-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/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))
BDBM50205383
PNG
((5-{4-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)
Show SMILES OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-19(23(30)24(20)31)15-2-1-3-16(12-15)25(32)26-17-6-4-14(5-7-17)21-11-8-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 570n/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))
BDBM50205383
PNG
((5-{4-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)
Show SMILES OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-19(23(30)24(20)31)15-2-1-3-16(12-15)25(32)26-17-6-4-14(5-7-17)21-11-8-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70E+3n/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