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BDBM83848 MLS002702310::N-[2-(dimethylamino)ethyl]-1-methoxy-4-acridinecarboxamide;hydrochloride::N-[2-(dimethylamino)ethyl]-1-methoxy-acridine-4-carboxamide;hydrochloride::N-[2-(dimethylamino)ethyl]-1-methoxyacridine-4-carboxamide;hydrochloride::SMR001565872::cid_386514

SMILES: COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12

InChI Key: InChIKey=VYYGUDPHNMYNOZ-UHFFFAOYSA-N

Data: 4 IC50  1 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 5 hits for monomerid = 83848   
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
FXN frataxin


(Aspergillus niger)
BDBM83848
PNG
(MLS002702310 | N-[2-(dimethylamino)ethyl]-1-methox...)
Show SMILES COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12
Show InChI InChI=1S/C19H21N3O2/c1-22(2)11-10-20-19(23)14-8-9-17(24-3)15-12-13-6-4-5-7-16(13)21-18(14)15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.95E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM83848
PNG
(MLS002702310 | N-[2-(dimethylamino)ethyl]-1-methox...)
Show SMILES COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12
Show InChI InChI=1S/C19H21N3O2/c1-22(2)11-10-20-19(23)14-8-9-17(24-3)15-12-13-6-4-5-7-16(13)21-18(14)15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens (Human))
BDBM83848
PNG
(MLS002702310 | N-[2-(dimethylamino)ethyl]-1-methox...)
Show SMILES COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12
Show InChI InChI=1S/C19H21N3O2/c1-22(2)11-10-20-19(23)14-8-9-17(24-3)15-12-13-6-4-5-7-16(13)21-18(14)15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.25E+3n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM83848
PNG
(MLS002702310 | N-[2-(dimethylamino)ethyl]-1-methox...)
Show SMILES COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12
Show InChI InChI=1S/C19H21N3O2/c1-22(2)11-10-20-19(23)14-8-9-17(24-3)15-12-13-6-4-5-7-16(13)21-18(14)15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM83848
PNG
(MLS002702310 | N-[2-(dimethylamino)ethyl]-1-methox...)
Show SMILES COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12
Show InChI InChI=1S/C19H21N3O2/c1-22(2)11-10-20-19(23)14-8-9-17(24-3)15-12-13-6-4-5-7-16(13)21-18(14)15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair