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BDBM114668 2-[[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]-N-[4-(2-thiazolylsulfamoyl)phenyl]acetamide::2-[[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]thio]-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide::2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide::2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide::MLS003128033::SMR001836093::cid_24210575

SMILES: O=C(CSc1nnc(SCc2cccc3ccccc23)s1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

InChI Key: InChIKey=HWAGBYPJVVDBLJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 114668   
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
Fibrinogen beta chain [164-491]


(Homo sapiens (Human))
BDBM114668
PNG
(2-[[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-...)
Show SMILES O=C(CSc1nnc(SCc2cccc3ccccc23)s1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C24H19N5O3S5/c30-21(26-18-8-10-19(11-9-18)37(31,32)29-22-25-12-13-33-22)15-35-24-28-27-23(36-24)34-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-13H,14-15H2,(H,25,29)(H,26,30)
PDB
MMDB

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B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.33E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2R49PFB
More data for this
Ligand-Target Pair
Fibrinogen beta chain [164-491]


(Homo sapiens (Human))
BDBM114668
PNG
(2-[[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-...)
Show SMILES O=C(CSc1nnc(SCc2cccc3ccccc23)s1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C24H19N5O3S5/c30-21(26-18-8-10-19(11-9-18)37(31,32)29-22-25-12-13-33-22)15-35-24-28-27-23(36-24)34-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-13H,14-15H2,(H,25,29)(H,26,30)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.56E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F59
More data for this
Ligand-Target Pair