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BDBM5107 N-(5-tert-Butyl-4-methyl-1,3-thiazol-2-yl)-3-nitrobenzenesulfonamide::N-[(2Z)-5-tert-butyl-4-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]-3-nitrobenzene-1-sulfonamide::thiazolidenebenzenesulfonamide deriv. 4

SMILES: Cc1[nH+]c([N-]S(=O)(=O)c2cccc(c2)[N+]([O-])=O)sc1C(C)(C)C

InChI Key: InChIKey=AQQSZNHAFBUILD-UHFFFAOYSA-O

Data: 3 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 3 hits for monomerid = 5107   
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


(Human immunodeficiency virus type 1)
BDBM5107
PNG
(N-(5-tert-Butyl-4-methyl-1,3-thiazol-2-yl)-3-nitro...)
Show SMILES Cc1[nH+]c([N-]S(=O)(=O)c2cccc(c2)[N+]([O-])=O)sc1C(C)(C)C
Show InChI InChI=1S/C14H16N3O4S2/c1-9-12(14(2,3)4)22-13(15-9)16-23(20,21)11-7-5-6-10(8-11)17(18)19/h5-8H,1-4H3/q-1/p+1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 370n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Bioorg Med Chem 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5107
PNG
(N-(5-tert-Butyl-4-methyl-1,3-thiazol-2-yl)-3-nitro...)
Show SMILES Cc1[nH+]c([N-]S(=O)(=O)c2cccc(c2)[N+]([O-])=O)sc1C(C)(C)C
Show InChI InChI=1S/C14H16N3O4S2/c1-9-12(14(2,3)4)22-13(15-9)16-23(20,21)11-7-5-6-10(8-11)17(18)19/h5-8H,1-4H3/q-1/p+1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 470n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Bioorg Med Chem 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5107
PNG
(N-(5-tert-Butyl-4-methyl-1,3-thiazol-2-yl)-3-nitro...)
Show SMILES Cc1[nH+]c([N-]S(=O)(=O)c2cccc(c2)[N+]([O-])=O)sc1C(C)(C)C
Show InChI InChI=1S/C14H16N3O4S2/c1-9-12(14(2,3)4)22-13(15-9)16-23(20,21)11-7-5-6-10(8-11)17(18)19/h5-8H,1-4H3/q-1/p+1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Bioorg Med Chem 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair