BindingDB logo
myBDB logout

BDBM40563 5-bromanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide::5-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide::5-bromo-N-[4-(2-pyridinyl)-2-thiazolyl]-2-thiophenecarboxamide::5-bromo-N-[4-(2-pyridyl)thiazol-2-yl]thiophene-2-carboxamide::MLS000564382::SMR000151923::cid_2354167

SMILES: Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1

InChI Key: InChIKey=ZJNFOQABHVJICF-UHFFFAOYSA-N

Data: 5 EC50

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 5 hits for monomerid = 40563   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM40563
PNG
(5-bromanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thio...)
Show SMILES Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C13H8BrN3OS2/c14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.45E+4n/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F47MJ9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM40563
PNG
(5-bromanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thio...)
Show SMILES Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C13H8BrN3OS2/c14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.27E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM40563
PNG
(5-bromanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thio...)
Show SMILES Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C13H8BrN3OS2/c14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.57E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Ca...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZP44K0
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM40563
PNG
(5-bromanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thio...)
Show SMILES Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C13H8BrN3OS2/c14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.74E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inh...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GM85R4
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM40563
PNG
(5-bromanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thio...)
Show SMILES Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C13H8BrN3OS2/c14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.36E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MC8XGG
More data for this
Ligand-Target Pair