BindingDB logo
myBDB logout

BDBM60597 (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(6-hydroxy-4-keto-chromen-3-yl)acrylamide::(E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(6-hydroxy-4-oxo-1-benzopyran-3-yl)-2-propenamide::(E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(6-hydroxy-4-oxochromen-3-yl)prop-2-enamide::(E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(6-oxidanyl-4-oxidanylidene-chromen-3-yl)prop-2-enamide::(E)-N-Benzothiazol-2-yl-2-cyano-3-(6-hydroxy-4-oxo-4H-chromen-3-yl)-acrylamide::MLS000332015::SMR000221475::cid_1839490

SMILES: Oc1ccc2occ(\C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c(=O)c2c1

InChI Key: InChIKey=GADKWXHYPZMQRZ-YRNVUSSQSA-N

Data: 4 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 4 hits for monomerid = 60597   
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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM60597
PNG
((E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(6-hydroxy...)
Show SMILES Oc1ccc2occ(\C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
Show InChI InChI=1S/C20H11N3O4S/c21-9-11(19(26)23-20-22-15-3-1-2-4-17(15)28-20)7-12-10-27-16-6-5-13(24)8-14(16)18(12)25/h1-8,10,24H,(H,22,23,26)/b11-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 8.15E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM60597
PNG
((E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(6-hydroxy...)
Show SMILES Oc1ccc2occ(\C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
Show InChI InChI=1S/C20H11N3O4S/c21-9-11(19(26)23-20-22-15-3-1-2-4-17(15)28-20)7-12-10-27-16-6-5-13(24)8-14(16)18(12)25/h1-8,10,24H,(H,22,23,26)/b11-7+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 8.50E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2J38R0R
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM60597
PNG
((E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(6-hydroxy...)
Show SMILES Oc1ccc2occ(\C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
Show InChI InChI=1S/C20H11N3O4S/c21-9-11(19(26)23-20-22-15-3-1-2-4-17(15)28-20)7-12-10-27-16-6-5-13(24)8-14(16)18(12)25/h1-8,10,24H,(H,22,23,26)/b11-7+
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 8.85E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2J101NV
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM60597
PNG
((E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(6-hydroxy...)
Show SMILES Oc1ccc2occ(\C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
Show InChI InChI=1S/C20H11N3O4S/c21-9-11(19(26)23-20-22-15-3-1-2-4-17(15)28-20)7-12-10-27-16-6-5-13(24)8-14(16)18(12)25/h1-8,10,24H,(H,22,23,26)/b11-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.11E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2SJ1J25
More data for this
Ligand-Target Pair