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BDBM50070534 1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)-ethyl]-urea::CHEMBL35729

SMILES: CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F

InChI Key: InChIKey=QCUXORFMMDLGEK-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50070534   
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)
BDBM50070534
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...)
Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 500n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070534
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...)
Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070534
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...)
Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair