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BDBM41850 2-[(1R)-1-carboxy-2-(1-naphthalenyl)ethyl]-1,3-dioxo-5-isoindolecarboxylic acid::2-[(1R)-1-carboxy-2-(1-naphthyl)ethyl]-1,3-diketo-isoindoline-5-carboxylic acid::2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid::2-[(2R)-3-naphthalen-1-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid::NCGC00161790-01::cid_16752640

SMILES: OC(=O)[C@@H](Cc1cccc2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O

InChI Key: InChIKey=CZNPWASYMRBJCX-GOSISDBHSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 41850   
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
Beta-lactamase AmpC


(Escherichia coli)
BDBM41850
PNG
(2-[(1R)-1-carboxy-2-(1-naphthalenyl)ethyl]-1,3-dio...)
Show SMILES OC(=O)[C@@H](Cc1cccc2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C22H15NO6/c24-19-16-9-8-14(21(26)27)10-17(16)20(25)23(19)18(22(28)29)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11H2,(H,26,27)(H,28,29)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
PCBioAssay
5.00E+3n/an/an/an/an/an/an/an/a



NCGC

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: MH079825-01 Assay Provider: Shoichet, Bria...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)