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BDBM114007 1-Benzyl-3-(naphthalen-2-ylamino)-pyrrolidine-2,5-dione::1-benzyl-3-(2-naphthylamino)pyrrolidine-2,5-quinone::1-benzyl-3-(naphthalen-2-ylamino)pyrrolidine-2,5-dione::3-(2-naphthalenylamino)-1-(phenylmethyl)pyrrolidine-2,5-dione::3-(naphthalen-2-ylamino)-1-(phenylmethyl)pyrrolidine-2,5-dione::MLS000556860::SMR000147977::cid_3794468

SMILES: O=C1CC(Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1

InChI Key: InChIKey=NYMDPNWQNYFALJ-UHFFFAOYSA-N

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 = 114007   
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
ADAM17


(Homo sapiens (Human))
BDBM114007
PNG
(1-Benzyl-3-(naphthalen-2-ylamino)-pyrrolidine-2,5-...)
Show SMILES O=C1CC(Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C21H18N2O2/c24-20-13-19(21(25)23(20)14-15-6-2-1-3-7-15)22-18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19,22H,13-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q21J98DJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114007
PNG
(1-Benzyl-3-(naphthalen-2-ylamino)-pyrrolidine-2,5-...)
Show SMILES O=C1CC(Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C21H18N2O2/c24-20-13-19(21(25)23(20)14-15-6-2-1-3-7-15)22-18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19,22H,13-14H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair