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BDBM50070538 1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-cyclopropyl]-3-(5-chloro-pyridin-2-yl)-urea::CHEMBL37025

SMILES: CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1Cl

InChI Key: InChIKey=APIVDBOZFLBVFN-CMPLNLGQSA-N

Data: 3 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 3 hits for monomerid = 50070538   
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)
BDBM50070538
PNG
(1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(20)15(16(13)19)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 50n/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)
BDBM50070538
PNG
(1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(20)15(16(13)19)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 8n/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)
BDBM50070538
PNG
(1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(20)15(16(13)19)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 80n/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