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BDBM27589 2-{[1-(2-chloro-4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2-chlorophenyl)acetamide::tetrazolyl compound, 26

SMILES: Cc1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccccc1Cl

InChI Key: InChIKey=OAVCJJKGYHSXNC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 27589   
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
HIV-1 Reverse Transcriptase Mutant (103N/181C)


(Human immunodeficiency virus type 1)
BDBM27589
PNG
(2-{[1-(2-chloro-4-methylphenyl)-1H-1,2,3,4-tetrazo...)
Show SMILES Cc1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C16H13Cl2N5OS/c1-10-6-7-14(12(18)8-10)23-16(20-21-22-23)25-9-15(24)19-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,19,24)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 809n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation prox imity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value repres...


Bioorg Med Chem Lett 19: 1199-205 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.074
BindingDB Entry DOI: 10.7270/Q2ZG6QKQ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27589
PNG
(2-{[1-(2-chloro-4-methylphenyl)-1H-1,2,3,4-tetrazo...)
Show SMILES Cc1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C16H13Cl2N5OS/c1-10-6-7-14(12(18)8-10)23-16(20-21-22-23)25-9-15(24)19-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,19,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.80n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd.



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 19: 1199-205 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.074
BindingDB Entry DOI: 10.7270/Q2ZG6QKQ
More data for this
Ligand-Target Pair