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BDBM27592 2-{4-[3-chloro-4-(2-{[1-(2-chloro-4-methylphenyl)-1H-pyrazol-5-yl]sulfanyl}acetamido)phenyl]phenyl}acetic acid::pyrazolyl compound, 29

SMILES: Cc1ccc(c(Cl)c1)-n1nccc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1

InChI Key: InChIKey=JQEHHYUUNKMJPP-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 27592   
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)
BDBM27592
PNG
(2-{4-[3-chloro-4-(2-{[1-(2-chloro-4-methylphenyl)-...)
Show SMILES Cc1ccc(c(Cl)c1)-n1nccc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C26H21Cl2N3O3S/c1-16-2-9-23(21(28)12-16)31-25(10-11-29-31)35-15-24(32)30-22-8-7-19(14-20(22)27)18-5-3-17(4-6-18)13-26(33)34/h2-12,14H,13,15H2,1H3,(H,30,32)(H,33,34)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 420n/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...)
BDBM27592
PNG
(2-{4-[3-chloro-4-(2-{[1-(2-chloro-4-methylphenyl)-...)
Show SMILES Cc1ccc(c(Cl)c1)-n1nccc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C26H21Cl2N3O3S/c1-16-2-9-23(21(28)12-16)31-25(10-11-29-31)35-15-24(32)30-22-8-7-19(14-20(22)27)18-5-3-17(4-6-18)13-26(33)34/h2-12,14H,13,15H2,1H3,(H,30,32)(H,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7.90n/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