BindingDB logo
myBDB logout

BDBM79077 4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-((4-fluoro-phenyl)-{(5-methyl-furan-2-yl)-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide)::4-amino-5-N-(4-fluorophenyl)-5-N-[1-(5-methylfuran-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide::4-amino-N'-(4-fluorophenyl)-N'-[2-keto-1-(5-methyl-2-furyl)-2-(tetrahydrofurfurylamino)ethyl]isothiazole-3,5-dicarboxamide::4-amino-N5-(4-fluorophenyl)-N5-[1-(5-methyl-2-furanyl)-2-oxo-2-(2-oxolanylmethylamino)ethyl]isothiazole-3,5-dicarboxamide::4-azanyl-N5-(4-fluorophenyl)-N5-[1-(5-methylfuran-2-yl)-2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide::MLS001216725::SMR000599706::cid_3174273

SMILES: Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1)C(=O)NCC1CCCO1

InChI Key: InChIKey=RZLNUPXEWRAQCG-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 79077   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79077
PNG
(4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide ...)
Show SMILES Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C23H24FN5O5S/c1-12-4-9-16(34-12)19(22(31)27-11-15-3-2-10-33-15)29(14-7-5-13(24)6-8-14)23(32)20-17(25)18(21(26)30)28-35-20/h4-9,15,19H,2-3,10-11,25H2,1H3,(H2,26,30)(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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/Q2X34VX0
More data for this
Ligand-Target Pair