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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50075204'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 min...


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)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by l...


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)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant associated RNase H domain activity assessed as reduction in reduction in DNA 3' end direc...


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)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant associated RNase H domain activity assessed as reduction in internal cleavage using HTS-1...


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)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant associated RNase H domain activity assessed as reduction in internal cleavage using HTS-1 RNA/D...


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)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant associated RNase H domain activity assessed as reduction in reduction in DNA 3' end directed cl...


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)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...


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