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8 molecules are shown

Wt: 274.2
BDBM27571
Wt: 288.3
BDBM27572
Wt: 303.3
BDBM27573
Wt: 304.3
BDBM27574
Wt: 308.7
BDBM27575
Wt: 292.2
BDBM27576
Wt: 306.2
BDBM27577
Wt: 304.3
BDBM27578

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 27571,27572,27573,27574,27575,27576,27577,27578   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27571
PNG
(5-[(3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicar...)
Show SMILES Cc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C16H10N4O/c1-10-16-14(20-19-10)3-2-4-15(16)21-13-6-11(8-17)5-12(7-13)9-18/h2-7H,1H3,(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 332n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM27577
PNG
(5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...)
Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 25n/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 group M subtyp...)
BDBM27573
PNG
(5-({3-[(methylamino)methyl]-1H-indazol-4-yl}oxy)be...)
Show SMILES CNCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H13N5O/c1-20-10-15-17-14(21-22-15)3-2-4-16(17)23-13-6-11(8-18)5-12(7-13)9-19/h2-7,20H,10H2,1H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27574
PNG
(5-{[3-(methoxymethyl)-1H-indazol-4-yl]oxy}benzene-...)
Show SMILES COCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H12N4O2/c1-22-10-15-17-14(20-21-15)3-2-4-16(17)23-13-6-11(8-18)5-12(7-13)9-19/h2-7H,10H2,1H3,(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.67E+3n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27575
PNG
(5-[(5-chloro-3-methyl-1H-indazol-4-yl)oxy]benzene-...)
Show SMILES Cc1n[nH]c2ccc(Cl)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C16H9ClN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 399n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27576
PNG
(5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...)
Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27577
PNG
(5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...)
Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27578
PNG
(5-{[7-(hydroxymethyl)-3-methyl-1H-indazol-4-yl]oxy...)
Show SMILES Cc1n[nH]c2c(CO)ccc(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H12N4O2/c1-10-16-15(3-2-13(9-22)17(16)21-20-10)23-14-5-11(7-18)4-12(6-14)8-19/h2-6,22H,9H2,1H3,(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27576
PNG
(5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...)
Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 384n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27577
PNG
(5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...)
Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 183n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27578
PNG
(5-{[7-(hydroxymethyl)-3-methyl-1H-indazol-4-yl]oxy...)
Show SMILES Cc1n[nH]c2c(CO)ccc(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H12N4O2/c1-10-16-15(3-2-13(9-22)17(16)21-20-10)23-14-5-11(7-18)4-12(6-14)8-19/h2-6,22H,9H2,1H3,(H,20,21)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.27E+3n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM27576
PNG
(5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...)
Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 145n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM27577
PNG
(5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...)
Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM27576
PNG
(5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...)
Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 50n/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 group M subtyp...)
BDBM27572
PNG
(5-[(3-ethyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarb...)
Show SMILES CCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H12N4O/c1-2-14-17-15(21-20-14)4-3-5-16(17)22-13-7-11(9-18)6-12(8-13)10-19/h3-8H,2H2,1H3,(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 112n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)