BindingDB logo
myBDB logout

BDBM83003 (6E)-5-azanylidene-6-[[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-2-methylsulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-5-imino-2-mesyl-6-[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-5-imino-6-[[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-2-methylsulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-5-imino-6-{3-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-2-(methylsulfonyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::MLS001199626::SMR000560211::cid_24792310

SMILES: COc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCCOc1ccc(C)cc1

InChI Key: InChIKey=DJVSZBKBQLBXHW-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 83003   
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
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM83003
PNG
((6E)-5-azanylidene-6-[[3-methoxy-4-[2-(4-methylphe...)
Show SMILES COc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCCOc1ccc(C)cc1 |w:5.4,c:12,t:9|
Show InChI InChI=1S/C23H22N4O6S2/c1-14-4-7-16(8-5-14)32-10-11-33-18-9-6-15(13-19(18)31-2)12-17-20(24)27-22(25-21(17)28)34-23(26-27)35(3,29)30/h4-9,12-13,24H,10-11H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.15E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM83003
PNG
((6E)-5-azanylidene-6-[[3-methoxy-4-[2-(4-methylphe...)
Show SMILES COc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCCOc1ccc(C)cc1 |w:5.4,c:12,t:9|
Show InChI InChI=1S/C23H22N4O6S2/c1-14-4-7-16(8-5-14)32-10-11-33-18-9-6-15(13-19(18)31-2)12-17-20(24)27-22(25-21(17)28)34-23(26-27)35(3,29)30/h4-9,12-13,24H,10-11H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.48E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM83003
PNG
((6E)-5-azanylidene-6-[[3-methoxy-4-[2-(4-methylphe...)
Show SMILES COc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCCOc1ccc(C)cc1 |w:5.4,c:12,t:9|
Show InChI InChI=1S/C23H22N4O6S2/c1-14-4-7-16(8-5-14)32-10-11-33-18-9-6-15(13-19(18)31-2)12-17-20(24)27-22(25-21(17)28)34-23(26-27)35(3,29)30/h4-9,12-13,24H,10-11H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.30E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair