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BDBM5121 3-methyl-2-[(3-nitrobenzene)sulfonamido]-5-(propan-2-yl)-2,3-dihydro-1,3-thiazole-4-carboxamide::4- and 5-substituted thiazolidene deriv. 19::5-Isopropyl-3-methyl-2-{[(3-nitrophenyl)sulfonyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxamide

SMILES: CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C(N)=O

InChI Key: InChIKey=GHFIJZDKYNCSQG-PEZBUJJGSA-N

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 = 5121   
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)
BDBM5121
PNG
(3-methyl-2-[(3-nitrobenzene)sulfonamido]-5-(propan...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C(N)=O
Show InChI InChI=1S/C14H16N4O5S2/c1-8(2)12-11(13(15)19)17(3)14(24-12)16-25(22,23)10-6-4-5-9(7-10)18(20)21/h4-8H,1-3H3,(H2,15,19)/b16-14-
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



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)
BDBM5121
PNG
(3-methyl-2-[(3-nitrobenzene)sulfonamido]-5-(propan...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C(N)=O
Show InChI InChI=1S/C14H16N4O5S2/c1-8(2)12-11(13(15)19)17(3)14(24-12)16-25(22,23)10-6-4-5-9(7-10)18(20)21/h4-8H,1-3H3,(H2,15,19)/b16-14-
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



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)
BDBM5121
PNG
(3-methyl-2-[(3-nitrobenzene)sulfonamido]-5-(propan...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C(N)=O
Show InChI InChI=1S/C14H16N4O5S2/c1-8(2)12-11(13(15)19)17(3)14(24-12)16-25(22,23)10-6-4-5-9(7-10)18(20)21/h4-8H,1-3H3,(H2,15,19)/b16-14-
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



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