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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50008081   
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)
BDBM50070535
PNG
(1-[(1R,2R)-2-(6-Chloro-3-ethoxy-2-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(Cl)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070536
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H16ClF2N3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070533
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2,6-difluo...)
Show SMILES Fc1cccc(F)c1[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C15H12ClF2N3O/c16-8-4-5-13(19-7-8)21-15(22)20-12-6-9(12)14-10(17)2-1-3-11(14)18/h1-5,7,9,12H,6H2,(H2,19,20,21,22)/t9-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070531
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2-fluoro-3...)
Show SMILES COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H17ClFN3O3/c1-24-12-4-5-13(25-2)16(19)15(12)10-7-11(10)21-17(23)22-14-6-3-9(18)8-20-14/h3-6,8,10-11H,7H2,1-2H3,(H2,20,21,22,23)/t10-,11+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070537
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[2-(2,6-difluoro-pheny...)
Show SMILES Fc1cccc(F)c1CCNC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C14H12ClF2N3O/c15-9-4-5-13(19-8-9)20-14(21)18-7-6-10-11(16)2-1-3-12(10)17/h1-5,8H,6-7H2,(H2,18,19,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 3n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2717
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimeth...)
Show SMILES COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C16H17ClFN3O3/c1-23-12-4-5-13(24-2)15(18)11(12)7-8-19-16(22)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,22)
PDB
MMDB

UniProtKB/TrEMBL

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



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2860
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...)
Show SMILES CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl
Show InChI InChI=1S/C16H16BrClFN3O2/c1-2-24-13-5-4-12(19)11(15(13)18)7-8-20-16(23)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 4n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070530
PNG
(1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(cn2)C#N)c1Cl
Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)/t11-,13+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070532
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2-...)
Show SMILES CCOc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C18H19BrFN3O3/c1-3-26-14-6-5-13(25-2)16(17(14)20)11-8-12(11)22-18(24)23-15-7-4-10(19)9-21-15/h4-7,9,11-12H,3,8H2,1-2H3,(H2,21,22,23,24)/t11-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070534
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...)
Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070538
PNG
(1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(20)15(16(13)19)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 8n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1866
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1
Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070536
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H16ClF2N3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070535
PNG
(1-[(1R,2R)-2-(6-Chloro-3-ethoxy-2-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(Cl)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2716
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H17BrF2N4O/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070533
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2,6-difluo...)
Show SMILES Fc1cccc(F)c1[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C15H12ClF2N3O/c16-8-4-5-13(19-7-8)21-15(22)20-12-6-9(12)14-10(17)2-1-3-11(14)18/h1-5,7,9,12H,6H2,(H2,19,20,21,22)/t9-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070538
PNG
(1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(20)15(16(13)19)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 50n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070535
PNG
(1-[(1R,2R)-2-(6-Chloro-3-ethoxy-2-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(Cl)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 50n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070530
PNG
(1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(cn2)C#N)c1Cl
Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)/t11-,13+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 70n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070530
PNG
(1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(cn2)C#N)c1Cl
Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)/t11-,13+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070538
PNG
(1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(20)15(16(13)19)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070536
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2...)
Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H16ClF2N3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070532
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2-...)
Show SMILES CCOc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C18H19BrFN3O3/c1-3-26-14-6-5-13(25-2)16(17(14)20)11-8-12(11)22-18(24)23-15-7-4-10(19)9-21-15/h4-7,9,11-12H,3,8H2,1-2H3,(H2,21,22,23,24)/t11-,12+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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n/an/a 100n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2720
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...)
Show SMILES COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(25-2)13(16(12)19)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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n/an/a 100n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070533
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2,6-difluo...)
Show SMILES Fc1cccc(F)c1[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C15H12ClF2N3O/c16-8-4-5-13(19-7-8)21-15(22)20-12-6-9(12)14-10(17)2-1-3-11(14)18/h1-5,7,9,12H,6H2,(H2,19,20,21,22)/t9-,12+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2717
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimeth...)
Show SMILES COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C16H17ClFN3O3/c1-23-12-4-5-13(24-2)15(18)11(12)7-8-19-16(22)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,22)
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n/an/a 140n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2717
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimeth...)
Show SMILES COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C16H17ClFN3O3/c1-23-12-4-5-13(24-2)15(18)11(12)7-8-19-16(22)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,22)
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n/an/a 140n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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n/an/a 200n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070539
PNG
((S)-9-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,...)
Show SMILES C[C@H]1C(Cl)n2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |wD:1.0,(15.35,-13.04,;14.11,-13.39,;13.57,-11.93,;14.63,-10.79,;12.02,-11.48,;10.69,-12.43,;10.69,-14,;11.82,-14.79,;13.37,-14.48,;14.08,-15.54,;15.35,-15.46,;16.05,-16.52,;15.48,-17.66,;17.32,-16.44,;9.36,-14.77,;8.01,-14.01,;8.01,-12.44,;9.36,-11.66,;9.34,-10.13,;11.74,-9.87,;12.51,-8.86,)|
Show InChI InChI=1S/C16H20ClN3S/c1-10(2)7-8-19-9-12-5-4-6-13-14(12)20(16(21)18-13)15(17)11(19)3/h4-7,11,15H,8-9H2,1-3H3,(H,18,21)/t11-,15?/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070532
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2-...)
Show SMILES CCOc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C18H19BrFN3O3/c1-3-26-14-6-5-13(25-2)16(17(14)20)11-8-12(11)22-18(24)23-15-7-4-10(19)9-21-15/h4-7,9,11-12H,3,8H2,1-2H3,(H2,21,22,23,24)/t11-,12+/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2860
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...)
Show SMILES CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl
Show InChI InChI=1S/C16H16BrClFN3O2/c1-2-24-13-5-4-12(19)11(15(13)18)7-8-20-16(23)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,23)
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n/an/a 240n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070531
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2-fluoro-3...)
Show SMILES COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H17ClFN3O3/c1-24-12-4-5-13(25-2)16(19)15(12)10-7-11(10)21-17(23)22-14-6-3-9(18)8-20-14/h3-6,8,10-11H,7H2,1-2H3,(H2,20,21,22,23)/t10-,11+/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070531
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2-fluoro-3...)
Show SMILES COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H17ClFN3O3/c1-24-12-4-5-13(25-2)16(19)15(12)10-7-11(10)21-17(23)22-14-6-3-9(18)8-20-14/h3-6,8,10-11H,7H2,1-2H3,(H2,20,21,22,23)/t10-,11+/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070537
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[2-(2,6-difluoro-pheny...)
Show SMILES Fc1cccc(F)c1CCNC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C14H12ClF2N3O/c15-9-4-5-13(19-8-9)20-14(21)18-7-6-10-11(16)2-1-3-12(10)17/h1-5,8H,6-7H2,(H2,18,19,20,21)
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n/an/a 420n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070537
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[2-(2,6-difluoro-pheny...)
Show SMILES Fc1cccc(F)c1CCNC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C14H12ClF2N3O/c15-9-4-5-13(19-8-9)20-14(21)18-7-6-10-11(16)2-1-3-12(10)17/h1-5,8H,6-7H2,(H2,18,19,20,21)
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n/an/a 480n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070534
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...)
Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)
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n/an/a 500n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1866
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1
Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)
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n/an/a 700n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1894
PNG
(1-(2-phenylethyl)-3-1,3-thiazol-2-ylthiourea | CHE...)
Show SMILES S=C(NCCc1ccccc1)Nc1nccs1
Show InChI InChI=1S/C12H13N3S2/c16-11(15-12-14-8-9-17-12)13-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,13,14,15,16)
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n/an/a 900n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Antiviral activity was determined against HIV- 1 reverse transcriptase


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2720
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...)
Show SMILES COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(25-2)13(16(12)19)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2716
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H17BrF2N4O/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
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n/an/a 1.50E+3n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2860
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...)
Show SMILES CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl
Show InChI InChI=1S/C16H16BrClFN3O2/c1-2-24-13-5-4-12(19)11(15(13)18)7-8-20-16(23)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,23)
PDB
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n/an/a 1.70E+3n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070534
PNG
(1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...)
Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)
PDB
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n/an/a 2.50E+3n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2716
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H17BrF2N4O/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
PDB
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UniProtKB/TrEMBL

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UniChem
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n/an/a>2.50E+3n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1866
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1
Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)
PDB
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UniProtKB/TrEMBL

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n/an/a 3.20E+3n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2720
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...)
Show SMILES COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(25-2)13(16(12)19)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
PDB
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UniProtKB/TrEMBL

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n/an/a 1.00E+4n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070539
PNG
((S)-9-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,...)
Show SMILES C[C@H]1C(Cl)n2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |wD:1.0,(15.35,-13.04,;14.11,-13.39,;13.57,-11.93,;14.63,-10.79,;12.02,-11.48,;10.69,-12.43,;10.69,-14,;11.82,-14.79,;13.37,-14.48,;14.08,-15.54,;15.35,-15.46,;16.05,-16.52,;15.48,-17.66,;17.32,-16.44,;9.36,-14.77,;8.01,-14.01,;8.01,-12.44,;9.36,-11.66,;9.34,-10.13,;11.74,-9.87,;12.51,-8.86,)|
Show InChI InChI=1S/C16H20ClN3S/c1-10(2)7-8-19-9-12-5-4-6-13-14(12)20(16(21)18-13)15(17)11(19)3/h4-7,11,15H,8-9H2,1-3H3,(H,18,21)/t11-,15?/m0/s1
PDB
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n/an/a 1.20E+4n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
PDB
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UniProtKB/TrEMBL

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n/an/a 1.50E+4n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.


Bioorg Med Chem Lett 8: 1511-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RR1XDZ
More data for this
Ligand-Target Pair
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