BindingDB logo
myBDB logout

null

SMILES: Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(C)c1

InChI Key: InChIKey=NNGMCMYHQMJNSX-UHFFFAOYSA-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 = 64766   
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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM64766
PNG
(MLS001239923 | N-({2-[(2,4-dimethylphenoxy)acetyl]...)
Show SMILES Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(C)c1
Show InChI InChI=1S/C15H19N3O3S/c1-9-3-6-12(10(2)7-9)21-8-13(19)17-18-15(22)16-14(20)11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3,(H,17,19)(H2,16,18,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM64766
PNG
(MLS001239923 | N-({2-[(2,4-dimethylphenoxy)acetyl]...)
Show SMILES Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(C)c1
Show InChI InChI=1S/C15H19N3O3S/c1-9-3-6-12(10(2)7-9)21-8-13(19)17-18-15(22)16-14(20)11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3,(H,17,19)(H2,16,18,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.59E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM64766
PNG
(MLS001239923 | N-({2-[(2,4-dimethylphenoxy)acetyl]...)
Show SMILES Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(C)c1
Show InChI InChI=1S/C15H19N3O3S/c1-9-3-6-12(10(2)7-9)21-8-13(19)17-18-15(22)16-14(20)11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3,(H,17,19)(H2,16,18,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.27E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair