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BDBM50098480 4-(4-Bromo-phenylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL266198

SMILES: NC(=O)c1cc2c(Sc3ccc(Br)cc3)cncc2s1

InChI Key: InChIKey=BSSKWUVAKNLPJS-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 = 50098480   
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))
BDBM50098480
PNG
(4-(4-Bromo-phenylsulfanyl)-thieno[2,3-c]pyridine-2...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2OS2/c15-8-1-3-9(4-2-8)19-12-6-17-7-13-10(12)5-11(20-13)14(16)18/h1-7H,(H2,16,18)
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 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
VCAM-1


(Homo sapiens (Human))
BDBM50098480
PNG
(4-(4-Bromo-phenylsulfanyl)-thieno[2,3-c]pyridine-2...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2OS2/c15-8-1-3-9(4-2-8)19-12-6-17-7-13-10(12)5-11(20-13)14(16)18/h1-7H,(H2,16,18)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a>4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of VCAM-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50098480
PNG
(4-(4-Bromo-phenylsulfanyl)-thieno[2,3-c]pyridine-2...)
Show SMILES NC(=O)c1cc2c(Sc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2OS2/c15-8-1-3-9(4-2-8)19-12-6-17-7-13-10(12)5-11(20-13)14(16)18/h1-7H,(H2,16,18)
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 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair