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SMILES: Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(cc2)C#N)n1

InChI Key: InChIKey=BYARTTHGWGIRGS-UHFFFAOYSA-N

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 = 50467333   
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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50467333
PNG
(CHEMBL307297 | R-106168)
Show SMILES Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C17H12Cl2N6/c18-13-2-1-3-14(19)12(13)8-15-23-16(21)25-17(24-15)22-11-6-4-10(9-20)5-7-11/h1-7H,8H2,(H3,21,22,23,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 316n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188L mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...


Eur J Med Chem 158: 371-392 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.013
BindingDB Entry DOI: 10.7270/Q2V98BRH
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50467333
PNG
(CHEMBL307297 | R-106168)
Show SMILES Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C17H12Cl2N6/c18-13-2-1-3-14(19)12(13)8-15-23-16(21)25-17(24-15)22-11-6-4-10(9-20)5-7-11/h1-7H,8H2,(H3,21,22,23,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...


Eur J Med Chem 158: 371-392 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.013
BindingDB Entry DOI: 10.7270/Q2V98BRH
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50467333
PNG
(CHEMBL307297 | R-106168)
Show SMILES Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C17H12Cl2N6/c18-13-2-1-3-14(19)12(13)8-15-23-16(21)25-17(24-15)22-11-6-4-10(9-20)5-7-11/h1-7H,8H2,(H3,21,22,23,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 LAI reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay


Eur J Med Chem 158: 371-392 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.013
BindingDB Entry DOI: 10.7270/Q2V98BRH
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50467333
PNG
(CHEMBL307297 | R-106168)
Show SMILES Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C17H12Cl2N6/c18-13-2-1-3-14(19)12(13)8-15-23-16(21)25-17(24-15)22-11-6-4-10(9-20)5-7-11/h1-7H,8H2,(H3,21,22,23,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...


Eur J Med Chem 158: 371-392 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.013
BindingDB Entry DOI: 10.7270/Q2V98BRH
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50467333
PNG
(CHEMBL307297 | R-106168)
Show SMILES Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C17H12Cl2N6/c18-13-2-1-3-14(19)12(13)8-15-23-16(21)25-17(24-15)22-11-6-4-10(9-20)5-7-11/h1-7H,8H2,(H3,21,22,23,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...


Eur J Med Chem 158: 371-392 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.013
BindingDB Entry DOI: 10.7270/Q2V98BRH
More data for this
Ligand-Target Pair