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BDBM79334 MLS002391556::N-[3-(dimethylamino)propyl]-4-(8-hydroxy-6-quinolinyl)benzamide;2,2,2-trifluoroacetic acid::N-[3-(dimethylamino)propyl]-4-(8-hydroxy-6-quinolyl)benzamide;2,2,2-trifluoroacetic acid::N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide;2,2,2-trifluoroacetic acid::N-[3-(dimethylamino)propyl]-4-(8-oxidanylquinolin-6-yl)benzamide;2,2,2-tris(fluoranyl)ethanoic acid::SMR001355524::cid_44143208

SMILES: CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(O)c2ncccc2c1

InChI Key: InChIKey=QDBVSOZTVKXUES-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 79334   
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
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79334
PNG
(MLS002391556 | N-[3-(dimethylamino)propyl]-4-(8-hy...)
Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(O)c2ncccc2c1
Show InChI InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)
PDB
MMDB

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MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.15E+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, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79334
PNG
(MLS002391556 | N-[3-(dimethylamino)propyl]-4-(8-hy...)
Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(O)c2ncccc2c1
Show InChI InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)
PDB
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MCE
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 3.89E+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, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79334
PNG
(MLS002391556 | N-[3-(dimethylamino)propyl]-4-(8-hy...)
Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(O)c2ncccc2c1
Show InChI InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.49E+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, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair