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BDBM88993 MLS001304035::SMR000718768::cid_23703286::sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate::sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-5-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate::sodium;(6R,7R)-7-[[(2Z)-2-(2-aminothiazol-5-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate::sodium;(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-5-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

SMILES: CO\N=C(\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C([O-])=O)c1cnc(N)s1

InChI Key: InChIKey=JYMYFOQORDMWJK-KPLGQKMUSA-M

Data: 2 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 2 hits for monomerid = 88993   
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
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM88993
PNG
(MLS001304035 | SMR000718768 | cid_23703286 | sodiu...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C([O-])=O)c1cnc(N)s1
Show InChI InChI=1S/C13H13N5O5S2/c1-23-17-7(6-4-15-13(14)25-6)9(19)16-8-10(20)18-5(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/p-1/b17-7+/t8-,11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.33E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88993
PNG
(MLS001304035 | SMR000718768 | cid_23703286 | sodiu...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C([O-])=O)c1cnc(N)s1
Show InChI InChI=1S/C13H13N5O5S2/c1-23-17-7(6-4-15-13(14)25-6)9(19)16-8-10(20)18-5(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/p-1/b17-7+/t8-,11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.41E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair