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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50105180   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50105180
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))
BDBM50105180
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of selectin E in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Vascular cell adhesion protein 1


(Homo sapiens (Human))
BDBM50105180
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VCAM-1 in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair