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BDBM50070531 1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2-fluoro-3,6-dimethoxy-phenyl)-cyclopropyl]-urea::CHEMBL38341

SMILES: COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F

InChI Key: InChIKey=ZEIUVBUZZZQSSI-WDEREUQCSA-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 = 50070531   
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)
BDBM50070531
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2-fluoro-3...)
Show SMILES COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H17ClFN3O3/c1-24-12-4-5-13(25-2)16(19)15(12)10-7-11(10)21-17(23)22-14-6-3-9(18)8-20-14/h3-6,8,10-11H,7H2,1-2H3,(H2,20,21,22,23)/t10-,11+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 270n/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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070531
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2-fluoro-3...)
Show SMILES COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H17ClFN3O3/c1-24-12-4-5-13(25-2)16(19)15(12)10-7-11(10)21-17(23)22-14-6-3-9(18)8-20-14/h3-6,8,10-11H,7H2,1-2H3,(H2,20,21,22,23)/t10-,11+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Compound was tested for its 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)
BDBM50070531
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2-fluoro-3...)
Show SMILES COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H17ClFN3O3/c1-24-12-4-5-13(25-2)16(19)15(12)10-7-11(10)21-17(23)22-14-6-3-9(18)8-20-14/h3-6,8,10-11H,7H2,1-2H3,(H2,20,21,22,23)/t10-,11+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 270n/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