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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 reverse transcriptase' and Ligand = 'BDBM50075213'   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075213
PNG
(CHEMBL3414864)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)C3CC3)ccc2C1=O
Show InChI InChI=1S/C19H17NO3/c21-18-11-16-10-13(3-8-17(16)19(22)20(18)23)9-12-1-4-14(5-2-12)15-6-7-15/h1-5,8,10,15,23H,6-7,9,11H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075213
PNG
(CHEMBL3414864)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)C3CC3)ccc2C1=O
Show InChI InChI=1S/C19H17NO3/c21-18-11-16-10-13(3-8-17(16)19(22)20(18)23)9-12-1-4-14(5-2-12)15-6-7-15/h1-5,8,10,15,23H,6-7,9,11H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075213
PNG
(CHEMBL3414864)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)C3CC3)ccc2C1=O
Show InChI InChI=1S/C19H17NO3/c21-18-11-16-10-13(3-8-17(16)19(22)20(18)23)9-12-1-4-14(5-2-12)15-6-7-15/h1-5,8,10,15,23H,6-7,9,11H2
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 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)
BDBM50075213
PNG
(CHEMBL3414864)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)C3CC3)ccc2C1=O
Show InChI InChI=1S/C19H17NO3/c21-18-11-16-10-13(3-8-17(16)19(22)20(18)23)9-12-1-4-14(5-2-12)15-6-7-15/h1-5,8,10,15,23H,6-7,9,11H2
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 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