BindingDB logo
myBDB logout

null

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(=O)Nc1sc2CCCCc2c1C(N)=O

InChI Key: InChIKey=ANGCMKMCWLKPEK-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 = 67890   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67890
PNG
(2-[({[(4-tert-butylphenyl)sulfonyl]amino}acetyl)am...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C21H27N3O4S2/c1-21(2,3)13-8-10-14(11-9-13)30(27,28)23-12-17(25)24-20-18(19(22)26)15-6-4-5-7-16(15)29-20/h8-11,23H,4-7,12H2,1-3H3,(H2,22,26)(H,24,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67890
PNG
(2-[({[(4-tert-butylphenyl)sulfonyl]amino}acetyl)am...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C21H27N3O4S2/c1-21(2,3)13-8-10-14(11-9-13)30(27,28)23-12-17(25)24-20-18(19(22)26)15-6-4-5-7-16(15)29-20/h8-11,23H,4-7,12H2,1-3H3,(H2,22,26)(H,24,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM67890
PNG
(2-[({[(4-tert-butylphenyl)sulfonyl]amino}acetyl)am...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C21H27N3O4S2/c1-21(2,3)13-8-10-14(11-9-13)30(27,28)23-12-17(25)24-20-18(19(22)26)15-6-4-5-7-16(15)29-20/h8-11,23H,4-7,12H2,1-3H3,(H2,22,26)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.10E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair