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BDBM91508 2-chloranyl-3-(furan-2-ylmethylamino)naphthalene-1,4-dione::2-chloro-3-(2-furanylmethylamino)naphthalene-1,4-dione::2-chloro-3-(2-furfurylamino)-1,4-naphthoquinone::2-chloro-3-(furan-2-ylmethylamino)naphthalene-1,4-dione::MLS002608685::SMR001527430::cid_239677

SMILES: Oc1c(Cl)c(N=Cc2ccco2)c(O)c2ccccc12

InChI Key: InChIKey=AKTYLIWVVAVMIC-UHFFFAOYSA-N

Data: 2 EC50

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 = 91508   
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
LARGE


(Homo sapiens (Human))
BDBM91508
PNG
(2-chloranyl-3-(furan-2-ylmethylamino)naphthalene-1...)
Show SMILES Oc1c(Cl)c(N=Cc2ccco2)c(O)c2ccccc12 |w:5.4|
Show InChI InChI=1S/C15H10ClNO3/c16-12-13(17-8-9-4-3-7-20-9)15(19)11-6-2-1-5-10(11)14(12)18/h1-8,18-19H
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.97E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM91508
PNG
(2-chloranyl-3-(furan-2-ylmethylamino)naphthalene-1...)
Show SMILES Oc1c(Cl)c(N=Cc2ccco2)c(O)c2ccccc12 |w:5.4|
Show InChI InChI=1S/C15H10ClNO3/c16-12-13(17-8-9-4-3-7-20-9)15(19)11-6-2-1-5-10(11)14(12)18/h1-8,18-19H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.04E+5n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair