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SMILES: CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O

InChI Key: InChIKey=SGXGPYTZBKLAIU-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 2 hits for monomerid = 50476885   
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)
BDBM50476885
PNG
(CHEMBL231030)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C19H20Cl2N6O3S2/c1-19(2,3)11-4-7-16(14(21)8-11)27-18(24-25-26-27)31-10-17(28)23-15-6-5-12(9-13(15)20)32(22,29)30/h4-9H,10H2,1-3H3,(H,23,28)(H2,22,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.012
BindingDB Entry DOI: 10.7270/Q2BR8VZ7
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50476885
PNG
(CHEMBL231030)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C19H20Cl2N6O3S2/c1-19(2,3)11-4-7-16(14(21)8-11)27-18(24-25-26-27)31-10-17(28)23-15-6-5-12(9-13(15)20)32(22,29)30/h4-9H,10H2,1-3H3,(H,23,28)(H2,22,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.012
BindingDB Entry DOI: 10.7270/Q2BR8VZ7
More data for this
Ligand-Target Pair