BindingDB logo
myBDB logout

BDBM40218 6-chloranyl-3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]chromen-2-one::6-chloro-3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-benzopyran-2-one::6-chloro-3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-2H-chromen-2-one::6-chloro-3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]chromen-2-one::6-chloro-3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]coumarin::MLS000534394::SMR000141826::cid_1121878

SMILES: CNc1nnc(s1)-c1cc2cc(Cl)ccc2oc1=O

InChI Key: InChIKey=AHEBIJNECBRXCG-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 = 40218   
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))
BDBM40218
PNG
(6-chloranyl-3-[5-(methylamino)-1,3,4-thiadiazol-2-...)
Show SMILES CNc1nnc(s1)-c1cc2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C12H8ClN3O2S/c1-14-12-16-15-10(19-12)8-5-6-4-7(13)2-3-9(6)18-11(8)17/h2-5H,1H3,(H,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.11E+4n/an/an/an/an/an/a



Emory University

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/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM40218
PNG
(6-chloranyl-3-[5-(methylamino)-1,3,4-thiadiazol-2-...)
Show SMILES CNc1nnc(s1)-c1cc2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C12H8ClN3O2S/c1-14-12-16-15-10(19-12)8-5-6-4-7(13)2-3-9(6)18-11(8)17/h2-5H,1H3,(H,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM40218
PNG
(6-chloranyl-3-[5-(methylamino)-1,3,4-thiadiazol-2-...)
Show SMILES CNc1nnc(s1)-c1cc2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C12H8ClN3O2S/c1-14-12-16-15-10(19-12)8-5-6-4-7(13)2-3-9(6)18-11(8)17/h2-5H,1H3,(H,14,16)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair