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BDBM5115 N-(4-Isobutyl-5-isopropyl-3-methyl-1,3-thiazol-2(3H)-ylidene)-3-nitrobenzenesulfonamide::N-[(2Z)-3-methyl-4-(2-methylpropyl)-5-(propan-2-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]-3-nitrobenzene-1-sulfonamide::thiazolidenebenzenesulfonamide deriv. 17h

SMILES: CC(C)Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C

InChI Key: InChIKey=VVTIEIUQNXGQMH-ZCXUNETKSA-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 = 5115   
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)
BDBM5115
PNG
(N-(4-Isobutyl-5-isopropyl-3-methyl-1,3-thiazol-2(3...)
Show SMILES CC(C)Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C
Show InChI InChI=1S/C17H23N3O4S2/c1-11(2)9-15-16(12(3)4)25-17(19(15)5)18-26(23,24)14-8-6-7-13(10-14)20(21)22/h6-8,10-12H,9H2,1-5H3/b18-17-
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
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5115
PNG
(N-(4-Isobutyl-5-isopropyl-3-methyl-1,3-thiazol-2(3...)
Show SMILES CC(C)Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C
Show InChI InChI=1S/C17H23N3O4S2/c1-11(2)9-15-16(12(3)4)25-17(19(15)5)18-26(23,24)14-8-6-7-13(10-14)20(21)22/h6-8,10-12H,9H2,1-5H3/b18-17-
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)
BDBM5115
PNG
(N-(4-Isobutyl-5-isopropyl-3-methyl-1,3-thiazol-2(3...)
Show SMILES CC(C)Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C
Show InChI InChI=1S/C17H23N3O4S2/c1-11(2)9-15-16(12(3)4)25-17(19(15)5)18-26(23,24)14-8-6-7-13(10-14)20(21)22/h6-8,10-12H,9H2,1-5H3/b18-17-
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