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BDBM50105151 4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL119733

SMILES: NC(=O)c1cc2c(Oc3ccc(C=C)cc3)cncc2s1

InChI Key: InChIKey=DARDNMMMADSJDD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50105151   
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
Selectin E


(Homo sapiens (Human))
BDBM50105151
PNG
(4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(C=C)cc3)cncc2s1
Show InChI InChI=1S/C16H12N2O2S/c1-2-10-3-5-11(6-4-10)20-13-8-18-9-15-12(13)7-14(21-15)16(17)19/h2-9H,1H2,(H2,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 1n/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
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105151
PNG
(4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(C=C)cc3)cncc2s1
Show InChI InChI=1S/C16H12N2O2S/c1-2-10-3-5-11(6-4-10)20-13-8-18-9-15-12(13)7-14(21-15)16(17)19/h2-9H,1H2,(H2,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 2n/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
VCAM-1


(Homo sapiens (Human))
BDBM50105151
PNG
(4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(C=C)cc3)cncc2s1
Show InChI InChI=1S/C16H12N2O2S/c1-2-10-3-5-11(6-4-10)20-13-8-18-9-15-12(13)7-14(21-15)16(17)19/h2-9H,1H2,(H2,17,19)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a>6n/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