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SMILES: COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1c(C)cccc1C

InChI Key: InChIKey=KRPZAWZPWQRPPA-RSPUHVBCSA-N

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 = 61018   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61018
PNG
((6Z)-5-azanylidene-6-[[4-[3-(2,6-dimethylphenoxy)p...)
Show SMILES COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1c(C)cccc1C |c:12,t:9|
Show InChI InChI=1S/C25H25N3O4S/c1-16-6-4-7-17(2)22(16)32-12-5-11-31-20-9-8-18(15-21(20)30-3)14-19-23(26)28-10-13-33-25(28)27-24(19)29/h4,6-10,13-15,26H,5,11-12H2,1-3H3/b19-14-,26-23?
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PCBioAssay
n/an/an/an/a 4.70E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM61018
PNG
((6Z)-5-azanylidene-6-[[4-[3-(2,6-dimethylphenoxy)p...)
Show SMILES COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1c(C)cccc1C |c:12,t:9|
Show InChI InChI=1S/C25H25N3O4S/c1-16-6-4-7-17(2)22(16)32-12-5-11-31-20-9-8-18(15-21(20)30-3)14-19-23(26)28-10-13-33-25(28)27-24(19)29/h4,6-10,13-15,26H,5,11-12H2,1-3H3/b19-14-,26-23?
PDB
MMDB

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PCBioAssay
n/an/a 3.11E+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/Q26M35BC
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM61018
PNG
((6Z)-5-azanylidene-6-[[4-[3-(2,6-dimethylphenoxy)p...)
Show SMILES COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1c(C)cccc1C |c:12,t:9|
Show InChI InChI=1S/C25H25N3O4S/c1-16-6-4-7-17(2)22(16)32-12-5-11-31-20-9-8-18(15-21(20)30-3)14-19-23(26)28-10-13-33-25(28)27-24(19)29/h4,6-10,13-15,26H,5,11-12H2,1-3H3/b19-14-,26-23?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.86E+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/Q2BZ64H1
More data for this
Ligand-Target Pair