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7 similar compounds to monomer 2914

Compile data set for download or QSAR
Wt: 343.7
BDBM2906
Wt: 343.7
BDBM2907
Wt: 357.7
BDBM2908
Wt: 341.3
BDBM2915
Wt: 327.2
BDBM2916
Wt: 341.3
BDBM2917
Wt: 345.2
BDBM2920

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 2906,2907,2908,2915,2916,2917,2920   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2906
PNG
((3S,5S)-7-chloro-5-(2-cyclopropylethynyl)-3-methyl...)
Show SMILES C[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F
Show InChI InChI=1S/C16H13ClF3NO2/c1-9-14(22)21-13-5-4-11(17)8-12(13)15(23-9,16(18,19)20)7-6-10-2-3-10/h4-5,8-10H,2-3H2,1H3,(H,21,22)/t9-,15-/m0/s1
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Article
PubMed
n/an/a 82n/an/an/an/a8.237



DuPont Pharmaceuticals Company



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Bioorg Med Chem Lett 11: 1389-92 (2001)


Article DOI: 10.1016/s0960-894x(01)00239-6
BindingDB Entry DOI: 10.7270/Q24X560J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2907
PNG
((3R,5S)-7-chloro-5-(2-cyclopropylethynyl)-3-methyl...)
Show SMILES C[C@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F
Show InChI InChI=1S/C16H13ClF3NO2/c1-9-14(22)21-13-5-4-11(17)8-12(13)15(23-9,16(18,19)20)7-6-10-2-3-10/h4-5,8-10H,2-3H2,1H3,(H,21,22)/t9-,15+/m1/s1
PDB
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UniChem

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Article
PubMed
n/an/a 249n/an/an/an/a8.237



DuPont Pharmaceuticals Company



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Bioorg Med Chem Lett 11: 1389-92 (2001)


Article DOI: 10.1016/s0960-894x(01)00239-6
BindingDB Entry DOI: 10.7270/Q24X560J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2908
PNG
((3S,5S)-7-chloro-5-(2-cyclopropylethynyl)-3-ethyl-...)
Show SMILES CC[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F
Show InChI InChI=1S/C17H15ClF3NO2/c1-2-14-15(23)22-13-6-5-11(18)9-12(13)16(24-14,17(19,20)21)8-7-10-3-4-10/h5-6,9-10,14H,2-4H2,1H3,(H,22,23)/t14-,16-/m0/s1
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 391n/an/an/an/a8.237



DuPont Pharmaceuticals Company



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Bioorg Med Chem Lett 11: 1389-92 (2001)


Article DOI: 10.1016/s0960-894x(01)00239-6
BindingDB Entry DOI: 10.7270/Q24X560J
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2906
PNG
((3S,5S)-7-chloro-5-(2-cyclopropylethynyl)-3-methyl...)
Show SMILES C[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F
Show InChI InChI=1S/C16H13ClF3NO2/c1-9-14(22)21-13-5-4-11(17)8-12(13)15(23-9,16(18,19)20)7-6-10-2-3-10/h4-5,8-10H,2-3H2,1H3,(H,21,22)/t9-,15-/m0/s1
PDB
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UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2916
PNG
((3S,5S)-5-(2-cyclopropylethynyl)-7-fluoro-3-methyl...)
Show SMILES C[C@@H]1O[C@@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F
Show InChI InChI=1S/C16H13F4NO2/c1-9-14(22)21-13-5-4-11(17)8-12(13)15(23-9,16(18,19)20)7-6-10-2-3-10/h4-5,8-10H,2-3H2,1H3,(H,21,22)/t9-,15-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 95n/an/an/an/a8.237



DuPont Pharmaceuticals Company



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Bioorg Med Chem Lett 11: 1389-92 (2001)


Article DOI: 10.1016/s0960-894x(01)00239-6
BindingDB Entry DOI: 10.7270/Q24X560J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2917
PNG
((3S,5S)-5-(2-cyclopropylethynyl)-3-ethyl-7-fluoro-...)
Show SMILES CC[C@@H]1O[C@@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F
Show InChI InChI=1S/C17H15F4NO2/c1-2-14-15(23)22-13-6-5-11(18)9-12(13)16(24-14,17(19,20)21)8-7-10-3-4-10/h5-6,9-10,14H,2-4H2,1H3,(H,22,23)/t14-,16-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 171n/an/an/an/a8.237



DuPont Pharmaceuticals Company



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Bioorg Med Chem Lett 11: 1389-92 (2001)


Article DOI: 10.1016/s0960-894x(01)00239-6
BindingDB Entry DOI: 10.7270/Q24X560J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2920
PNG
((3S,5S)-5-(2-cyclopropylethynyl)-6,7-difluoro-3-me...)
Show SMILES C[C@@H]1O[C@@](C#CC2CC2)(c2c(NC1=O)ccc(F)c2F)C(F)(F)F
Show InChI InChI=1S/C16H12F5NO2/c1-8-14(23)22-11-5-4-10(17)13(18)12(11)15(24-8,16(19,20)21)7-6-9-2-3-9/h4-5,8-9H,2-3H2,1H3,(H,22,23)/t8-,15-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 193n/an/an/an/a8.237



DuPont Pharmaceuticals Company



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Bioorg Med Chem Lett 11: 1389-92 (2001)


Article DOI: 10.1016/s0960-894x(01)00239-6
BindingDB Entry DOI: 10.7270/Q24X560J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2915
PNG
((3R,5S)-5-(2-cyclopropylethynyl)-3-ethyl-7-fluoro-...)
Show SMILES CC[C@H]1O[C@@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F
Show InChI InChI=1S/C17H15F4NO2/c1-2-14-15(23)22-13-6-5-11(18)9-12(13)16(24-14,17(19,20)21)8-7-10-3-4-10/h5-6,9-10,14H,2-4H2,1H3,(H,22,23)/t14-,16+/m1/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.14E+3n/an/an/an/a8.237



DuPont Pharmaceuticals Company



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Bioorg Med Chem Lett 11: 1389-92 (2001)


Article DOI: 10.1016/s0960-894x(01)00239-6
BindingDB Entry DOI: 10.7270/Q24X560J
More data for this
Ligand-Target Pair