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BDBM50075221 CHEMBL3414873

SMILES: ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(F)cc3F)ccc2C1=O

InChI Key: InChIKey=CVVARHLYYGVUHG-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50075221   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50075221
PNG
(CHEMBL3414873)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(F)cc3F)ccc2C1=O
Show InChI InChI=1S/C22H15F2NO3/c23-17-6-8-18(20(24)12-17)15-4-1-13(2-5-15)9-14-3-7-19-16(10-14)11-21(26)25(28)22(19)27/h1-8,10,12,28H,9,11H2
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV integrase pre-incubated for 10 mins before DNA substrate addition


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075221
PNG
(CHEMBL3414873)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(F)cc3F)ccc2C1=O
Show InChI InChI=1S/C22H15F2NO3/c23-17-6-8-18(20(24)12-17)15-4-1-13(2-5-15)9-14-3-7-19-16(10-14)11-21(26)25(28)22(19)27/h1-8,10,12,28H,9,11H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in DNA 3' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075221
PNG
(CHEMBL3414873)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(F)cc3F)ccc2C1=O
Show InChI InChI=1S/C22H15F2NO3/c23-17-6-8-18(20(24)12-17)15-4-1-13(2-5-15)9-14-3-7-19-16(10-14)11-21(26)25(28)22(19)27/h1-8,10,12,28H,9,11H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by li...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075221
PNG
(CHEMBL3414873)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(F)cc3F)ccc2C1=O
Show InChI InChI=1S/C22H15F2NO3/c23-17-6-8-18(20(24)12-17)15-4-1-13(2-5-15)9-14-3-7-19-16(10-14)11-21(26)25(28)22(19)27/h1-8,10,12,28H,9,11H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in RNA 5' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075221
PNG
(CHEMBL3414873)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(F)cc3F)ccc2C1=O
Show InChI InChI=1S/C22H15F2NO3/c23-17-6-8-18(20(24)12-17)15-4-1-13(2-5-15)9-14-3-7-19-16(10-14)11-21(26)25(28)22(19)27/h1-8,10,12,28H,9,11H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075221
PNG
(CHEMBL3414873)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(F)cc3F)ccc2C1=O
Show InChI InChI=1S/C22H15F2NO3/c23-17-6-8-18(20(24)12-17)15-4-1-13(2-5-15)9-14-3-7-19-16(10-14)11-21(26)25(28)22(19)27/h1-8,10,12,28H,9,11H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in internal cleavage using ...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair