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BDBM50070533 1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2,6-difluoro-phenyl)-cyclopropyl]-urea::CHEMBL37762

SMILES: Fc1cccc(F)c1[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=LVBIXTQEPOAWGY-JOYOIKCWSA-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 = 50070533   
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)
BDBM50070533
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2,6-difluo...)
Show SMILES Fc1cccc(F)c1[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C15H12ClF2N3O/c16-8-4-5-13(19-7-8)21-15(22)20-12-6-9(12)14-10(17)2-1-3-11(14)18/h1-5,7,9,12H,6H2,(H2,19,20,21,22)/t9-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/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)
BDBM50070533
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2,6-difluo...)
Show SMILES Fc1cccc(F)c1[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C15H12ClF2N3O/c16-8-4-5-13(19-7-8)21-15(22)20-12-6-9(12)14-10(17)2-1-3-11(14)18/h1-5,7,9,12H,6H2,(H2,19,20,21,22)/t9-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 120n/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)
BDBM50070533
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2,6-difluo...)
Show SMILES Fc1cccc(F)c1[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C15H12ClF2N3O/c16-8-4-5-13(19-7-8)21-15(22)20-12-6-9(12)14-10(17)2-1-3-11(14)18/h1-5,7,9,12H,6H2,(H2,19,20,21,22)/t9-,12+/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
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