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BDBM50477185 CHEMBL239338

SMILES: CC(C)N(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1

InChI Key: InChIKey=VQJKUVSKZOTZTB-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50477185   
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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50477185
PNG
(CHEMBL239338)
Show SMILES CC(C)N(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
Show InChI InChI=1S/C17H21F2N3O/c1-9(2)22(5)17-20-15(11(4)16(23)21-17)10(3)14-12(18)7-6-8-13(14)19/h6-10H,1-5H3,(H,20,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V106A mutant


J Med Chem 50: 5412-24 (2007)


Article DOI: 10.1021/jm070811e
BindingDB Entry DOI: 10.7270/Q2H99803
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50477185
PNG
(CHEMBL239338)
Show SMILES CC(C)N(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
Show InChI InChI=1S/C17H21F2N3O/c1-9(2)22(5)17-20-15(11(4)16(23)21-17)10(3)14-12(18)7-6-8-13(14)19/h6-10H,1-5H3,(H,20,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 3B reverse transcriptase


J Med Chem 50: 5412-24 (2007)


Article DOI: 10.1021/jm070811e
BindingDB Entry DOI: 10.7270/Q2H99803
More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50477185
PNG
(CHEMBL239338)
Show SMILES CC(C)N(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
Show InChI InChI=1S/C17H21F2N3O/c1-9(2)22(5)17-20-15(11(4)16(23)21-17)10(3)14-12(18)7-6-8-13(14)19/h6-10H,1-5H3,(H,20,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant


J Med Chem 50: 5412-24 (2007)


Article DOI: 10.1021/jm070811e
BindingDB Entry DOI: 10.7270/Q2H99803
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50477185
PNG
(CHEMBL239338)
Show SMILES CC(C)N(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
Show InChI InChI=1S/C17H21F2N3O/c1-9(2)22(5)17-20-15(11(4)16(23)21-17)10(3)14-12(18)7-6-8-13(14)19/h6-10H,1-5H3,(H,20,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.19E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188L mutant


J Med Chem 50: 5412-24 (2007)


Article DOI: 10.1021/jm070811e
BindingDB Entry DOI: 10.7270/Q2H99803
More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50477185
PNG
(CHEMBL239338)
Show SMILES CC(C)N(C)c1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
Show InChI InChI=1S/C17H21F2N3O/c1-9(2)22(5)17-20-15(11(4)16(23)21-17)10(3)14-12(18)7-6-8-13(14)19/h6-10H,1-5H3,(H,20,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I mutant


J Med Chem 50: 5412-24 (2007)


Article DOI: 10.1021/jm070811e
BindingDB Entry DOI: 10.7270/Q2H99803
More data for this
Ligand-Target Pair