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8 similar compounds to monomer 2011

Compile data set for download or QSAR
Wt: 299.2
BDBM2006
Wt: 285.2
BDBM2010
Purchase
Wt: 269.2
BDBM2007
Wt: 265.2
BDBM2009
Wt: 255.2
BDBM1998
Wt: 269.2
BDBM1999
Wt: 269.2
BDBM2002
Wt: 268.3
BDBM2004

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 2006,2010,2007,2009,1998,1999,2002,2004   
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)
BDBM1998
PNG
(6-amino-10,14-dimethyl-2-oxa-4,10-diazatricyclo[9....)
Show SMILES CN1c2ccc(C)cc2Oc2ncc(N)cc2C1=O
Show InChI InChI=1S/C14H13N3O2/c1-8-3-4-11-12(5-8)19-13-10(14(18)17(11)2)6-9(15)7-16-13/h3-7H,15H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1999
PNG
(6-amino-10,13,14-trimethyl-2-oxa-4,10-diazatricycl...)
Show SMILES CN1c2cc(C)c(C)cc2Oc2ncc(N)cc2C1=O
Show InChI InChI=1S/C15H15N3O2/c1-8-4-12-13(5-9(8)2)20-14-11(15(19)18(12)3)6-10(16)7-17-14/h4-7H,16H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 322n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2002
PNG
(6-amino-10,12,14-trimethyl-2-oxa-4,10-diazatricycl...)
Show SMILES CN1c2c(C)cc(C)cc2Oc2ncc(N)cc2C1=O
Show InChI InChI=1S/C15H15N3O2/c1-8-4-9(2)13-12(5-8)20-14-11(15(19)18(13)3)6-10(16)7-17-14/h4-7H,16H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2010
PNG
(10,14-dimethyl-12-nitro-2-oxa-4,10-diazatricyclo[9...)
Show SMILES CN1c2c(Oc3ncccc3C1=O)cc(C)cc2[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O4/c1-8-6-10(17(19)20)12-11(7-8)21-13-9(4-3-5-15-13)14(18)16(12)2/h3-7H,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2006
PNG
(10-ethyl-14-methyl-12-nitro-2-oxa-4,10-diazatricyc...)
Show SMILES CCN1c2c(Oc3ncccc3C1=O)cc(C)cc2[N+]([O-])=O
Show InChI InChI=1S/C15H13N3O4/c1-3-17-13-11(18(20)21)7-9(2)8-12(13)22-14-10(15(17)19)5-4-6-16-14/h4-8H,3H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2007
PNG
(12-amino-10-ethyl-14-methyl-2-oxa-4,10-diazatricyc...)
Show SMILES CCN1c2c(N)cc(C)cc2Oc2ncccc2C1=O
Show InChI InChI=1S/C15H15N3O2/c1-3-18-13-11(16)7-9(2)8-12(13)20-14-10(15(18)19)5-4-6-17-14/h4-8H,3,16H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 132n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2009
PNG
(10,14-dimethyl-9-oxo-2-oxa-4,10-diazatricyclo[9.4....)
Show SMILES CN1c2c(Oc3ncccc3C1=O)cc(C)cc2C#N
Show InChI InChI=1S/C15H11N3O2/c1-9-6-10(8-16)13-12(7-9)20-14-11(4-3-5-17-14)15(19)18(13)2/h3-7H,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2004
PNG
(10-ethyl-12,14-dimethyl-2-oxa-4,10-diazatricyclo[9...)
Show SMILES CCN1c2c(C)cc(C)cc2Oc2ncccc2C1=O
Show InChI InChI=1S/C16H16N2O2/c1-4-18-14-11(3)8-10(2)9-13(14)20-15-12(16(18)19)6-5-7-17-15/h5-9H,4H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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.


J Med Chem 35: 1887-97 (1992)


Article DOI: 10.1021/jm00088a027
BindingDB Entry DOI: 10.7270/Q2ST7N0J
More data for this
Ligand-Target Pair