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BDBM27587 2-{4-[3-chloro-4-(2-{[2-(2-chloro-4-methylphenyl)phenyl]sulfanyl}acetamido)phenyl]phenyl}acetic acid::thiophenyl compound, 10

SMILES: Cc1ccc(c(Cl)c1)-c1ccccc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1

InChI Key: InChIKey=QKPDOHLBPVZBKU-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 27587   
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 Mutant (103N/181C)


(Human immunodeficiency virus type 1)
BDBM27587
PNG
(2-{4-[3-chloro-4-(2-{[2-(2-chloro-4-methylphenyl)p...)
Show SMILES Cc1ccc(c(Cl)c1)-c1ccccc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C29H23Cl2NO3S/c1-18-6-12-22(24(30)14-18)23-4-2-3-5-27(23)36-17-28(33)32-26-13-11-21(16-25(26)31)20-9-7-19(8-10-20)15-29(34)35/h2-14,16H,15,17H2,1H3,(H,32,33)(H,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 592n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation prox imity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value repres...


Bioorg Med Chem Lett 19: 1199-205 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.074
BindingDB Entry DOI: 10.7270/Q2ZG6QKQ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27587
PNG
(2-{4-[3-chloro-4-(2-{[2-(2-chloro-4-methylphenyl)p...)
Show SMILES Cc1ccc(c(Cl)c1)-c1ccccc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C29H23Cl2NO3S/c1-18-6-12-22(24(30)14-18)23-4-2-3-5-27(23)36-17-28(33)32-26-13-11-21(16-25(26)31)20-9-7-19(8-10-20)15-29(34)35/h2-14,16H,15,17H2,1H3,(H,32,33)(H,34,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd.



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 19: 1199-205 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.074
BindingDB Entry DOI: 10.7270/Q2ZG6QKQ
More data for this
Ligand-Target Pair