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BDBM17674 4-chloro-2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-1H-1,3-benzodiazole::CHEMBL291505::benzimidazole analogue, 55

SMILES: Fc1cccc(F)c1Cn1c(nc2c(Cl)cccc12)-c1c(F)cccc1F

InChI Key: InChIKey=CCYYJHGTYFKTFS-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 = 17674   
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)
BDBM17674
PNG
(4-chloro-2-(2,6-difluorophenyl)-1-[(2,6-difluoroph...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2c(Cl)cccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;1.21,6.27,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;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/C20H11ClF4N2/c21-12-4-1-9-17-19(12)26-20(18-15(24)7-3-8-16(18)25)27(17)10-11-13(22)5-2-6-14(11)23/h1-9H,10H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/an/an/a 400n/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)
BDBM17674
PNG
(4-chloro-2-(2,6-difluorophenyl)-1-[(2,6-difluoroph...)
Show SMILES Fc1cccc(F)c1Cn1c(nc2c(Cl)cccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;1.21,6.27,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;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/C20H11ClF4N2/c21-12-4-1-9-17-19(12)26-20(18-15(24)7-3-8-16(18)25)27(17)10-11-13(22)5-2-6-14(11)23/h1-9H,10H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.63E+3n/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