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SMILES: COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1

InChI Key: InChIKey=BXGQMSIGOYPUDR-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 = 50411078   
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/RNaseH


(Human immunodeficiency virus 1)
BDBM50411078
PNG
(CHEMBL211326)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1
Show InChI InChI=1S/C18H15Cl2N3O2S/c1-10-15(8-12-13(19)4-3-5-14(12)20)22-18(23-17(10)24)26-11-6-7-16(25-2)21-9-11/h3-7,9H,8H2,1-2H3,(H,22,23,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>6.17E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50411078
PNG
(CHEMBL211326)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1
Show InChI InChI=1S/C18H15Cl2N3O2S/c1-10-15(8-12-13(19)4-3-5-14(12)20)22-18(23-17(10)24)26-11-6-7-16(25-2)21-9-11/h3-7,9H,8H2,1-2H3,(H,22,23,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.52E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y181C mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50411078
PNG
(CHEMBL211326)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1
Show InChI InChI=1S/C18H15Cl2N3O2S/c1-10-15(8-12-13(19)4-3-5-14(12)20)22-18(23-17(10)24)26-11-6-7-16(25-2)21-9-11/h3-7,9H,8H2,1-2H3,(H,22,23,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>6.13E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50411078
PNG
(CHEMBL211326)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1
Show InChI InChI=1S/C18H15Cl2N3O2S/c1-10-15(8-12-13(19)4-3-5-14(12)20)22-18(23-17(10)24)26-11-6-7-16(25-2)21-9-11/h3-7,9H,8H2,1-2H3,(H,22,23,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.72E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50411078
PNG
(CHEMBL211326)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1
Show InChI InChI=1S/C18H15Cl2N3O2S/c1-10-15(8-12-13(19)4-3-5-14(12)20)22-18(23-17(10)24)26-11-6-7-16(25-2)21-9-11/h3-7,9H,8H2,1-2H3,(H,22,23,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.68E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair