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BDBM27597 2-{4-[3-chloro-4-(2-{[1-(2-chloro-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]sulfanyl}acetamido)phenyl]phenyl}acetic acid::imidazolyl compound, 35

SMILES: Cc1cnc(SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)n1-c1ccc(C)cc1Cl

InChI Key: InChIKey=OPULJURKAOMYQN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 27597   
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)
BDBM27597
PNG
(2-{4-[3-chloro-4-(2-{[1-(2-chloro-4-methylphenyl)-...)
Show SMILES Cc1cnc(SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)n1-c1ccc(C)cc1Cl |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;8.75,.74,;10.18,.17,;11.39,1.12,;12.82,.55,;12.82,-.99,;14.16,-1.76,;11.49,-1.76,;11.17,2.64,;9.74,3.22,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-3.68,-4.07,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,)|
Show InChI InChI=1S/C27H23Cl2N3O3S/c1-16-3-10-24(22(29)11-16)32-17(2)14-30-27(32)36-15-25(33)31-23-9-8-20(13-21(23)28)19-6-4-18(5-7-19)12-26(34)35/h3-11,13-14H,12,15H2,1-2H3,(H,31,33)(H,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 549n/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...)
BDBM27597
PNG
(2-{4-[3-chloro-4-(2-{[1-(2-chloro-4-methylphenyl)-...)
Show SMILES Cc1cnc(SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)n1-c1ccc(C)cc1Cl |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;8.75,.74,;10.18,.17,;11.39,1.12,;12.82,.55,;12.82,-.99,;14.16,-1.76,;11.49,-1.76,;11.17,2.64,;9.74,3.22,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-3.68,-4.07,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,)|
Show InChI InChI=1S/C27H23Cl2N3O3S/c1-16-3-10-24(22(29)11-16)32-17(2)14-30-27(32)36-15-25(33)31-23-9-8-20(13-21(23)28)19-6-4-18(5-7-19)12-26(34)35/h3-11,13-14H,12,15H2,1-2H3,(H,31,33)(H,34,35)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 9.5n/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