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BDBM17675 CHEMBL58358::N-[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-1H-1,3-benzodiazol-4-yl]acetamide::benzimidazole analogue, 56

SMILES: CC(=O)Nc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F

InChI Key: InChIKey=SBIZKLILLFBQJK-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 17675   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM17675
PNG
(CHEMBL58358 | N-[2-(2,6-difluorophenyl)-1-[(2,6-di...)
Show SMILES CC(=O)Nc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(2.54,8.57,;1.21,7.81,;-.12,8.58,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C22H15F4N3O/c1-12(30)27-18-9-4-10-19-21(18)28-22(20-16(25)7-3-8-17(20)26)29(19)11-13-14(23)5-2-6-15(13)24/h2-10H,11H2,1H3,(H,27,30)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/an/an/a 1.65E+3n/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase.


J Med Chem 46: 1940-7 (2003)


Article DOI: 10.1021/jm020271f
BindingDB Entry DOI: 10.7270/Q2610ZPC
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM17675
PNG
(CHEMBL58358 | N-[2-(2,6-difluorophenyl)-1-[(2,6-di...)
Show SMILES CC(=O)Nc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(2.54,8.57,;1.21,7.81,;-.12,8.58,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C22H15F4N3O/c1-12(30)27-18-9-4-10-19-21(18)28-22(20-16(25)7-3-8-17(20)26)29(19)11-13-14(23)5-2-6-15(13)24/h2-10H,11H2,1H3,(H,27,30)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.47E+4n/an/an/an/a8.037



NCI-FCRDC



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.


J Med Chem 50: 4003-4015 (2007)


Article DOI: 10.1021/jm060103d
BindingDB Entry DOI: 10.7270/Q25M6409
More data for this
Ligand-Target Pair