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SMILES: CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12

InChI Key: InChIKey=QTANTQQOYSUMLC-UHFFFAOYSA-O

PDB links: 21 PDB IDs match 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 6 hits for monomerid = 200295   
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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200295
PNG
(AB00053825_07 | Ethidium bromide | cid_3624)
Show SMILES CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
KEGG
PC cid
PC sid
PDB
UniChem
PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
DNA helicase [35-727]


(Plasmodium falciparum)
BDBM200295
PNG
(AB00053825_07 | Ethidium bromide | cid_3624)
Show SMILES CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
UniProtKB/TrEMBL

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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.10E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [γ-32P] ATP. The reaction mixture of 10 μl conta...


BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM200295
PNG
(AB00053825_07 | Ethidium bromide | cid_3624)
Show SMILES CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using 0.05 ug/mL of Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay


Bioorg Med Chem Lett 22: 4844-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.041
BindingDB Entry DOI: 10.7270/Q2SJ1PG6
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM200295
PNG
(AB00053825_07 | Ethidium bromide | cid_3624)
Show SMILES CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using 25 ug/mL of Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay


Bioorg Med Chem Lett 22: 4844-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.041
BindingDB Entry DOI: 10.7270/Q2SJ1PG6
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM200295
PNG
(AB00053825_07 | Ethidium bromide | cid_3624)
Show SMILES CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using 0.5 ug/mL of Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay


Bioorg Med Chem Lett 22: 4844-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.041
BindingDB Entry DOI: 10.7270/Q2SJ1PG6
More data for this
Ligand-Target Pair
DNA helicase [35-727]


(Plasmodium falciparum)
BDBM200295
PNG
(AB00053825_07 | Ethidium bromide | cid_3624)
Show SMILES CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 4.80E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
Helicase assay was demonstrated using the purified fraction of PfUDN. The specially designed partial duplex substrate consisted of a 32P-labelled 47-...


BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair