BindingDB logo
myBDB logout

PubMed code 1375293

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2008
PNG
(10-ethyl-14-methyl-9-oxo-2-oxa-4,10-diazatricyclo[...)
Show SMILES CCN1c2c(Oc3ncccc3C1=O)cc(C)cc2C#N
Show InChI InChI=1S/C16H13N3O2/c1-3-19-14-11(9-17)7-10(2)8-13(14)21-15-12(16(19)20)5-4-6-18-15/h4-8H,3H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 19n/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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1987
PNG
(13-amino-5,7,9-trimethyl-2-oxa-9-azatricyclo[9.4.0...)
Show SMILES CN1c2c(C)cc(C)cc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C16H16N2O2/c1-9-6-10(2)15-14(7-9)20-13-5-4-11(17)8-12(13)16(19)18(15)3/h4-8H,17H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 20n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2012
PNG
(Pyridobenzoxazepinone 80 | methyl 10,14-dimethyl-9...)
Show SMILES COC(=O)c1cc(C)cc2Oc3ncccc3C(=O)N(C)c12
Show InChI InChI=1S/C16H14N2O4/c1-9-7-11(16(20)21-3)13-12(8-9)22-14-10(5-4-6-17-14)15(19)18(13)2/h4-8H,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 22n/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.


Citation and Details
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
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2003
PNG
(6-amino-10-ethyl-12,14-dimethyl-2-oxa-4,10-diazatr...)
Show SMILES CCN1c2c(C)cc(C)cc2Oc2ncc(N)cc2C1=O
Show InChI InChI=1S/C16H17N3O2/c1-4-19-14-10(3)5-9(2)6-13(14)21-15-12(16(19)20)7-11(17)8-18-15/h5-8H,4,17H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 27n/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.


Citation and Details
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
AffyNet 
PC cid
PC sid
UniChem

Similars

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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1979
PNG
(13-amino-5,9-dimethyl-2-oxa-9-azatricyclo[9.4.0.0^...)
Show SMILES CN1c2ccc(C)cc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C15H14N2O2/c1-9-3-5-12-14(7-9)19-13-6-4-10(16)8-11(13)15(18)17(12)2/h3-8H,16H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 30n/an/an/an/a7.822



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.


Citation and Details
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
AffyNet 
PC cid
PC sid
UniChem

Similars

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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1988
PNG
(13-amino-9-ethyl-5,7-dimethyl-2-oxa-9-azatricyclo[...)
Show SMILES CCN1c2c(C)cc(C)cc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C17H18N2O2/c1-4-19-16-11(3)7-10(2)8-15(16)21-14-6-5-12(18)9-13(14)17(19)20/h5-9H,4,18H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 43n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2001
PNG
(6-amino-13,14-dimethyl-10-(propan-2-yl)-2-oxa-4,10...)
Show SMILES CC(C)N1c2cc(C)c(C)cc2Oc2ncc(N)cc2C1=O
Show InChI InChI=1S/C17H19N3O2/c1-9(2)20-14-5-10(3)11(4)6-15(14)22-16-13(17(20)21)7-12(18)8-19-16/h5-9H,18H2,1-4H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 45n/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.


Citation and Details
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
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1992
PNG
(5,7,9-trimethyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0...)
Show SMILES CN1c2c(C)cc(C)cc2Oc2ccc(cc2C1=O)C#N
Show InChI InChI=1S/C17H14N2O2/c1-10-6-11(2)16-15(7-10)21-14-5-4-12(9-18)8-13(14)17(20)19(16)3/h4-8H,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 50n/an/an/an/a7.822



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.


Citation and Details
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
AffyNet 
PC cid
PC sid
UniChem

Similars

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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1991
PNG
(5,7,9-trimethyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]...)
Show SMILES CN1c2c(C)cc(C)cc2Oc2ccccc2C1=O
Show InChI InChI=1S/C16H15NO2/c1-10-8-11(2)15-14(9-10)19-13-7-5-4-6-12(13)16(18)17(15)3/h4-9H,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 57n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1982
PNG
(13-amino-9-ethyl-7-methyl-2-oxa-9-azatricyclo[9.4....)
Show SMILES CCN1c2c(C)cccc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C16H16N2O2/c1-3-18-15-10(2)5-4-6-14(15)20-13-8-7-11(17)9-12(13)16(18)19/h4-9H,3,17H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 60n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1993
PNG
(13-hydroxy-5,7,9-trimethyl-2-oxa-9-azatricyclo[9.4...)
Show SMILES CN1c2c(C)cc(C)cc2Oc2ccc(O)cc2C1=O
Show InChI InChI=1S/C16H15NO3/c1-9-6-10(2)15-14(7-9)20-13-5-4-11(18)8-12(13)16(19)17(15)3/h4-8,18H,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 63n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2000
PNG
(6-amino-10-ethyl-13,14-dimethyl-2-oxa-4,10-diazatr...)
Show SMILES CCN1c2cc(C)c(C)cc2Oc2ncc(N)cc2C1=O
Show InChI InChI=1S/C16H17N3O2/c1-4-19-13-5-9(2)10(3)6-14(13)21-15-12(16(19)20)7-11(17)8-18-15/h5-8H,4,17H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 71n/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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1996
PNG
(5-chloro-9-[2-(methylsulfanyl)ethyl]-2-oxa-4,9-dia...)
Show SMILES CSCCN1c2ccc(Cl)nc2Oc2ccccc2C1=O
Show InChI InChI=1S/C15H13ClN2O2S/c1-21-9-8-18-11-6-7-13(16)17-14(11)20-12-5-3-2-4-10(12)15(18)19/h2-7H,8-9H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 72n/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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2005
PNG
(10-ethyl-12,14-dimethyl-2-oxa-4,10-diazatricyclo[9...)
Show SMILES CCN1c2c(C)cc(C)cc2Oc2ncccc2C1=S
Show InChI InChI=1S/C16H16N2OS/c1-4-18-14-11(3)8-10(2)9-13(14)19-15-12(16(18)20)6-5-7-17-15/h5-9H,4H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 90n/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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1980
PNG
(13-amino-5-methyl-9-propyl-2-oxa-9-azatricyclo[9.4...)
Show SMILES CCCN1c2ccc(C)cc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C17H18N2O2/c1-3-8-19-14-6-4-11(2)9-16(14)21-15-7-5-12(18)10-13(15)17(19)20/h4-7,9-10H,3,8,18H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 130n/an/an/an/a7.822



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.


Citation and Details
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
AffyNet 
PC cid
PC sid
UniChem

Similars

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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1977
PNG
(13-amino-9-ethyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}...)
Show SMILES CCN1c2ccccc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C15H14N2O2/c1-2-17-12-5-3-4-6-14(12)19-13-8-7-10(16)9-11(13)15(17)18/h3-9H,2,16H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 145n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1984
PNG
(13-amino-5,6-dimethyl-9-propyl-2-oxa-9-azatricyclo...)
Show SMILES CCCN1c2cc(C)c(C)cc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C18H20N2O2/c1-4-7-20-15-8-11(2)12(3)9-17(15)22-16-6-5-13(19)10-14(16)18(20)21/h5-6,8-10H,4,7,19H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 165n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1976
PNG
(13-amino-9-methyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8...)
Show SMILES CN1c2ccccc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C14H12N2O2/c1-16-11-4-2-3-5-13(11)18-12-7-6-9(15)8-10(12)14(16)17/h2-8H,15H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 180n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1995
PNG
(5-chloro-9-propyl-2-oxa-4,9-diazatricyclo[9.4.0.0^...)
Show SMILES CCCN1c2ccc(Cl)nc2Oc2ccccc2C1=O
Show InChI InChI=1S/C15H13ClN2O2/c1-2-9-18-11-7-8-13(16)17-14(11)20-12-6-4-3-5-10(12)15(18)19/h3-8H,2,9H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 210n/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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1981
PNG
(13-amino-9-ethyl-6-methyl-2-oxa-9-azatricyclo[9.4....)
Show SMILES CCN1c2cc(C)ccc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C16H16N2O2/c1-3-18-13-8-10(2)4-6-15(13)20-14-7-5-11(17)9-12(14)16(18)19/h4-9H,3,17H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 240n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
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
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1983
PNG
(13-amino-7-methyl-9-propyl-2-oxa-9-azatricyclo[9.4...)
Show SMILES CCCN1c2c(C)cccc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C17H18N2O2/c1-3-9-19-16-11(2)5-4-6-15(16)21-14-8-7-12(18)10-13(14)17(19)20/h4-8,10H,3,9,18H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 260n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1990
PNG
(5,9-dimethyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{3...)
Show SMILES CN1c2ccc(C)cc2Oc2ccc(cc2C1=O)C#N
Show InChI InChI=1S/C16H12N2O2/c1-10-3-5-13-15(7-10)20-14-6-4-11(9-17)8-12(14)16(19)18(13)2/h3-8H,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 280n/an/an/an/a7.822



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.


Citation and Details
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
AffyNet 
PC cid
PC sid
UniChem

Similars

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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1974
PNG
(9-(propan-2-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]...)
Show SMILES CC(C)N1c2ccccc2Oc2ccccc2C1=O
Show InChI InChI=1S/C16H15NO2/c1-11(2)17-13-8-4-6-10-15(13)19-14-9-5-3-7-12(14)16(17)18/h3-11H,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 340n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1997
PNG
(10-ethyl-12-nitro-2-oxa-4,10-diazatricyclo[9.4.0.0...)
Show SMILES CCN1c2c(Oc3ncccc3C1=O)cccc2[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O4/c1-2-16-12-10(17(19)20)6-3-7-11(12)21-13-9(14(16)18)5-4-8-15-13/h3-8H,2H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 343n/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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1973
PNG
(9-propyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentade...)
Show SMILES CCCN1c2ccccc2Oc2ccccc2C1=O
Show InChI InChI=1S/C16H15NO2/c1-2-11-17-13-8-4-6-10-15(13)19-14-9-5-3-7-12(14)16(17)18/h3-10H,2,11H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 375n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1994
PNG
(9-propyl-2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentad...)
Show SMILES CCCN1c2ccccc2Sc2ccccc2C1=O
Show InChI InChI=1S/C16H15NOS/c1-2-11-17-13-8-4-6-10-15(13)19-14-9-5-3-7-12(14)16(17)18/h3-10H,2,11H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 400n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1972
PNG
(9-(prop-2-en-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,...)
Show SMILES C=CCN1c2ccccc2Oc2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-2-11-17-13-8-4-6-10-15(13)19-14-9-5-3-7-12(14)16(17)18/h2-10H,1,11H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 465n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1971
PNG
(9-ethyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadec...)
Show SMILES CCN1c2ccccc2Oc2ccccc2C1=O
Show InChI InChI=1S/C15H13NO2/c1-2-16-12-8-4-6-10-14(12)18-13-9-5-3-7-11(13)15(16)17/h3-10H,2H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 560n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1978
PNG
(5,9-dimethyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pen...)
Show SMILES CN1c2ccc(C)cc2Oc2ccccc2C1=O
Show InChI InChI=1S/C15H13NO2/c1-10-7-8-12-14(9-10)18-13-6-4-3-5-11(13)15(17)16(12)2/h3-9H,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 600n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1989
PNG
(13-hydroxy-5,9-dimethyl-2-oxa-9-azatricyclo[9.4.0....)
Show SMILES CN1c2ccc(C)cc2Oc2ccc(O)cc2C1=O
Show InChI InChI=1S/C15H13NO3/c1-9-3-5-12-14(7-9)19-13-6-4-10(17)8-11(13)15(18)16(12)2/h3-8,17H,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 640n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1985
PNG
(13-amino-6,7-dimethyl-9-propyl-2-oxa-9-azatricyclo...)
Show SMILES CCCN1c2c(C)c(C)ccc2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C18H20N2O2/c1-4-9-20-17-12(3)11(2)5-7-16(17)22-15-8-6-13(19)10-14(15)18(20)21/h5-8,10H,4,9,19H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 670n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1986
PNG
(13-amino-4,6-dimethyl-9-propyl-2-oxa-9-azatricyclo...)
Show SMILES CCCN1c2cc(C)cc(C)c2Oc2ccc(N)cc2C1=O
Show InChI InChI=1S/C18H20N2O2/c1-4-7-20-15-9-11(2)8-12(3)17(15)22-16-6-5-13(19)10-14(16)18(20)21/h5-6,8-10H,4,7,19H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 900n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2011
PNG
(12-amino-10,14-dimethyl-2-oxa-4,10-diazatricyclo[9...)
Show SMILES CN1c2c(N)cc(C)cc2Oc2ncccc2C1=O
Show InChI InChI=1S/C14H13N3O2/c1-8-6-10(15)12-11(7-8)19-13-9(4-3-5-16-13)14(18)17(12)2/h3-7H,15H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1975
PNG
(9-propyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentade...)
Show SMILES CCCN1c2ccccc2Oc2ccccc2C1=S
Show InChI InChI=1S/C16H15NOS/c1-2-11-17-13-8-4-6-10-15(13)18-14-9-5-3-7-12(14)16(17)19/h3-10H,2,11H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.20E+3n/an/an/an/a7.822



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.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%