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BDBM5055 N-(4-Chloro-5-isopropyl-3-methyl-1,3-thiazol-2(3H)-ylidene)-2,5-dicyanobenzenesulfonamide::N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]-2,5-dicyanobenzene-1-sulfonamide::thiazolidenebenzenesulfonamide deriv. 20

SMILES: CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl

InChI Key: InChIKey=AAHQTPLPZUWINV-CYVLTUHYSA-N

Data: 4 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 4 hits for monomerid = 5055   
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)
BDBM5055
PNG
(N-(4-Chloro-5-isopropyl-3-methyl-1,3-thiazol-2(3H)...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl
Show InChI InChI=1S/C15H13ClN4O2S2/c1-9(2)13-14(16)20(3)15(23-13)19-24(21,22)12-6-10(7-17)4-5-11(12)8-18/h4-6,9H,1-3H3/b19-15-
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.5n/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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM5055
PNG
(N-(4-Chloro-5-isopropyl-3-methyl-1,3-thiazol-2(3H)...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl
Show InChI InChI=1S/C15H13ClN4O2S2/c1-9(2)13-14(16)20(3)15(23-13)19-24(21,22)12-6-10(7-17)4-5-11(12)8-18/h4-6,9H,1-3H3/b19-15-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.02E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5055
PNG
(N-(4-Chloro-5-isopropyl-3-methyl-1,3-thiazol-2(3H)...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl
Show InChI InChI=1S/C15H13ClN4O2S2/c1-9(2)13-14(16)20(3)15(23-13)19-24(21,22)12-6-10(7-17)4-5-11(12)8-18/h4-6,9H,1-3H3/b19-15-
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5055
PNG
(N-(4-Chloro-5-isopropyl-3-methyl-1,3-thiazol-2(3H)...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl
Show InChI InChI=1S/C15H13ClN4O2S2/c1-9(2)13-14(16)20(3)15(23-13)19-24(21,22)12-6-10(7-17)4-5-11(12)8-18/h4-6,9H,1-3H3/b19-15-
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair