BindingDB logo
myBDB logout

PubMed code 9685236

Compile data set for download or QSAR
Found 132 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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2025
PNG
(2,8-disubstituted dipyridodiazepinone 4 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O2/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2044
PNG
(2,8-disubstituted dipyridodiazepinone 27 | 2-ethyl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H19N5O2/c1-3-25-18-16(20(26)24(2)17-5-4-8-22-19(17)25)11-14(12-23-18)13-27-15-6-9-21-10-7-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2054
PNG
(2,8-disubstituted dipyridodiazepinone 37 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4OS/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2054
PNG
(2,8-disubstituted dipyridodiazepinone 37 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4OS/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2025
PNG
(2,8-disubstituted dipyridodiazepinone 4 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O2/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2044
PNG
(2,8-disubstituted dipyridodiazepinone 27 | 2-ethyl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H19N5O2/c1-3-25-18-16(20(26)24(2)17-5-4-8-22-19(17)25)11-14(12-23-18)13-27-15-6-9-21-10-7-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2058
PNG
(2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccncc3)cnc12
Show InChI InChI=1S/C20H18ClN5OS/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2054
PNG
(2,8-disubstituted dipyridodiazepinone 37 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4OS/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2047
PNG
(2,8-disubstituted dipyridodiazepinone 30 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(C)c3)cnc12
Show InChI InChI=1S/C21H20ClN5O2/c1-4-27-19-16(21(28)26(3)17-5-6-18(22)25-20(17)27)10-14(11-24-19)12-29-15-7-8-23-13(2)9-15/h5-11H,4,12H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2047
PNG
(2,8-disubstituted dipyridodiazepinone 30 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(C)c3)cnc12
Show InChI InChI=1S/C21H20ClN5O2/c1-4-27-19-16(21(28)26(3)17-5-6-18(22)25-20(17)27)10-14(11-24-19)12-29-15-7-8-23-13(2)9-15/h5-11H,4,12H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2054
PNG
(2,8-disubstituted dipyridodiazepinone 37 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4OS/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2050
PNG
(2,8-disubstituted dipyridodiazepinone 33 | 4-({2-e...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12
Show InChI InChI=1S/C20H18FN5O3/c1-3-26-18-15(20(27)24(2)16-4-5-17(21)23-19(16)26)10-13(11-22-18)12-29-14-6-8-25(28)9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2057
PNG
(2,8-disubstituted dipyridodiazepinone 40 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ncccn3)cnc12
Show InChI InChI=1S/C19H17ClN6OS/c1-3-26-16-13(18(27)25(2)14-5-6-15(20)24-17(14)26)9-12(10-23-16)11-28-19-21-7-4-8-22-19/h4-10H,3,11H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2021
PNG
(2,8-Disubstituted Dipyridodiazepinone 37 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2048
PNG
(2,8-disubstituted dipyridodiazepinone 31 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(c3)C(F)(F)F)cnc12
Show InChI InChI=1S/C21H17ClF3N5O2/c1-3-30-18-14(20(31)29(2)15-4-5-17(22)28-19(15)30)8-12(10-27-18)11-32-13-6-7-26-16(9-13)21(23,24)25/h4-10H,3,11H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2054
PNG
(2,8-disubstituted dipyridodiazepinone 37 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4OS/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2036
PNG
(2,8-disubstituted dipyridodiazepinone 18 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(O)=O)cnc12
Show InChI InChI=1S/C22H19ClN4O4/c1-3-27-19-16(21(28)26(2)17-7-8-18(23)25-20(17)27)9-13(11-24-19)12-31-15-6-4-5-14(10-15)22(29)30/h4-11H,3,12H2,1-2H3,(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase, V106A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2045
PNG
(2,8-disubstituted dipyridodiazepinone 28 | 2-ethyl...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18FN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2060
PNG
(2,8-disubstituted dipyridodiazepinone 43 | 2-Chlor...)
Show SMILES CCN1c2ncc(CSc3ncnc4n[nH]cc34)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C20H17ClN8OS/c1-3-29-17-12(20(30)28(2)14-4-5-15(21)26-18(14)29)6-11(7-22-17)9-31-19-13-8-25-27-16(13)23-10-24-19/h4-8,10H,3,9H2,1-2H3,(H,23,24,25,27)
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2022
PNG
(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2054
PNG
(2,8-disubstituted dipyridodiazepinone 37 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4OS/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2045
PNG
(2,8-disubstituted dipyridodiazepinone 28 | 2-ethyl...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18FN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2058
PNG
(2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccncc3)cnc12
Show InChI InChI=1S/C20H18ClN5OS/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2024
PNG
(2,8-disubstituted dipyridodiazepinone 2 | 5-chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3ccccc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-9-10-18(22)25-20(17)27)11-14(13-24-19)12-23-15-7-5-4-6-8-15/h4-11,13,23H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2045
PNG
(2,8-disubstituted dipyridodiazepinone 28 | 2-ethyl...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18FN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2022
PNG
(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2038
PNG
(13-(3-aminophenoxymethyl)-5-chloro-2-ethyl-9-methy...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(N)c3)cnc12
Show InChI InChI=1S/C21H20ClN5O2/c1-3-27-19-16(21(28)26(2)17-7-8-18(22)25-20(17)27)9-13(11-24-19)12-29-15-6-4-5-14(23)10-15/h4-11H,3,12,23H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2044
PNG
(2,8-disubstituted dipyridodiazepinone 27 | 2-ethyl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H19N5O2/c1-3-25-18-16(20(26)24(2)17-5-4-8-22-19(17)25)11-14(12-23-18)13-27-15-6-9-21-10-7-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2056
PNG
(13-[(benzenesulfonyl)methyl]-5-chloro-2-ethyl-9-me...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)(=O)c3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O3S/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-30(28,29)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2054
PNG
(2,8-disubstituted dipyridodiazepinone 37 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4OS/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2028
PNG
(13-{[(3-aminophenyl)amino]methyl}-5-chloro-2-ethyl...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3cccc(N)c3)cnc12
Show InChI InChI=1S/C21H21ClN6O/c1-3-28-19-16(21(29)27(2)17-7-8-18(22)26-20(17)28)9-13(12-25-19)11-24-15-6-4-5-14(23)10-15/h4-10,12,24H,3,11,23H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2025
PNG
(2,8-disubstituted dipyridodiazepinone 4 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O2/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2057
PNG
(2,8-disubstituted dipyridodiazepinone 40 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ncccn3)cnc12
Show InChI InChI=1S/C19H17ClN6OS/c1-3-26-16-13(18(27)25(2)14-5-6-15(20)24-17(14)26)9-12(10-23-16)11-28-19-21-7-4-8-22-19/h4-10H,3,11H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2046
PNG
(2,8-disubstituted dipyridodiazepinone 29 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18ClN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2046
PNG
(2,8-disubstituted dipyridodiazepinone 29 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18ClN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2055
PNG
(13-[(benzenesulfinyl)methyl]-5-chloro-2-ethyl-9-me...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)c3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O2S/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-29(28)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2048
PNG
(2,8-disubstituted dipyridodiazepinone 31 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(c3)C(F)(F)F)cnc12
Show InChI InChI=1S/C21H17ClF3N5O2/c1-3-30-18-14(20(31)29(2)15-4-5-17(22)28-19(15)30)8-12(10-27-18)11-32-13-6-7-26-16(9-13)21(23,24)25/h4-10H,3,11H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2059
PNG
(2,8-disubstituted dipyridodiazepinone 42 | 2-Chlor...)
Show SMILES CCN1c2ncc(CSc3ncnc4nc[nH]c34)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C20H17ClN8OS/c1-3-29-17-12(20(30)28(2)13-4-5-14(21)27-18(13)29)6-11(7-22-17)8-31-19-15-16(24-9-23-15)25-10-26-19/h4-7,9-10H,3,8H2,1-2H3,(H,23,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2060
PNG
(2,8-disubstituted dipyridodiazepinone 43 | 2-Chlor...)
Show SMILES CCN1c2ncc(CSc3ncnc4n[nH]cc34)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C20H17ClN8OS/c1-3-29-17-12(20(30)28(2)14-4-5-15(21)26-18(14)29)6-11(7-22-17)9-31-19-13-8-25-27-16(13)23-10-24-19/h4-8,10H,3,9H2,1-2H3,(H,23,24,25,27)
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2024
PNG
(2,8-disubstituted dipyridodiazepinone 2 | 5-chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3ccccc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-9-10-18(22)25-20(17)27)11-14(13-24-19)12-23-15-7-5-4-6-8-15/h4-11,13,23H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2021
PNG
(2,8-Disubstituted Dipyridodiazepinone 37 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2044
PNG
(2,8-disubstituted dipyridodiazepinone 27 | 2-ethyl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H19N5O2/c1-3-25-18-16(20(26)24(2)17-5-4-8-22-19(17)25)11-14(12-23-18)13-27-15-6-9-21-10-7-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2025
PNG
(2,8-disubstituted dipyridodiazepinone 4 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O2/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2059
PNG
(2,8-disubstituted dipyridodiazepinone 42 | 2-Chlor...)
Show SMILES CCN1c2ncc(CSc3ncnc4nc[nH]c34)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C20H17ClN8OS/c1-3-29-17-12(20(30)28(2)13-4-5-14(21)27-18(13)29)6-11(7-22-17)8-31-19-15-16(24-9-23-15)25-10-26-19/h4-7,9-10H,3,8H2,1-2H3,(H,23,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2042
PNG
(2,8-disubstituted dipyridodiazepinone 25 | 2-Chlor...)
Show SMILES CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C23H20ClN5O2/c1-3-29-21-17(23(30)28(2)19-6-7-20(24)27-22(19)29)10-14(12-26-21)13-31-16-4-5-18-15(11-16)8-9-25-18/h4-12,25H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2036
PNG
(2,8-disubstituted dipyridodiazepinone 18 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(O)=O)cnc12
Show InChI InChI=1S/C22H19ClN4O4/c1-3-27-19-16(21(28)26(2)17-7-8-18(23)25-20(17)27)9-13(11-24-19)12-31-15-6-4-5-14(10-15)22(29)30/h4-11H,3,12H2,1-2H3,(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

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



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2056
PNG
(13-[(benzenesulfonyl)methyl]-5-chloro-2-ethyl-9-me...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)(=O)c3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O3S/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-30(28,29)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2028
PNG
(13-{[(3-aminophenyl)amino]methyl}-5-chloro-2-ethyl...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3cccc(N)c3)cnc12
Show InChI InChI=1S/C21H21ClN6O/c1-3-28-19-16(21(29)27(2)17-7-8-18(22)26-20(17)28)9-13(12-25-19)11-24-15-6-4-5-14(23)10-15/h4-10,12,24H,3,11,23H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2040
PNG
(2,8-disubstituted dipyridodiazepinone 23 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(OC)c3)cnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-4-27-20-17(22(28)26(2)18-8-9-19(23)25-21(18)27)10-14(12-24-20)13-30-16-7-5-6-15(11-16)29-3/h5-12H,4,13H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2052
PNG
(2,8-disubstituted dipyridodiazepinone 35 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])c(C)c3)cnc12
Show InChI InChI=1S/C21H20ClN5O3/c1-4-26-19-16(21(28)25(3)17-5-6-18(22)24-20(17)26)10-14(11-23-19)12-30-15-7-8-27(29)13(2)9-15/h5-11H,4,12H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2029
PNG
(2,8-disubstituted dipyridodiazepinone 9 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3O)cnc12
Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-14(21(28)25(2)15-8-9-18(22)24-20(15)26)10-13(11-23-19)12-29-17-7-5-4-6-16(17)27/h4-11,27H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2038
PNG
(13-(3-aminophenoxymethyl)-5-chloro-2-ethyl-9-methy...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(N)c3)cnc12
Show InChI InChI=1S/C21H20ClN5O2/c1-3-27-19-16(21(28)26(2)17-7-8-18(22)25-20(17)27)9-13(11-24-19)12-29-15-6-4-5-14(23)10-15/h4-11H,3,12,23H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2021
PNG
(2,8-Disubstituted Dipyridodiazepinone 37 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2045
PNG
(2,8-disubstituted dipyridodiazepinone 28 | 2-ethyl...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18FN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2025
PNG
(2,8-disubstituted dipyridodiazepinone 4 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O2/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2053
PNG
(2,8-disubstituted dipyridodiazepinone 36 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])c(c3)C(F)(F)F)cnc12
Show InChI InChI=1S/C21H17ClF3N5O3/c1-3-29-18-14(20(31)28(2)15-4-5-17(22)27-19(15)29)8-12(10-26-18)11-33-13-6-7-30(32)16(9-13)21(23,24)25/h4-10H,3,11H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2060
PNG
(2,8-disubstituted dipyridodiazepinone 43 | 2-Chlor...)
Show SMILES CCN1c2ncc(CSc3ncnc4n[nH]cc34)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C20H17ClN8OS/c1-3-29-17-12(20(30)28(2)14-4-5-15(21)26-18(14)29)6-11(7-22-17)9-31-19-13-8-25-27-16(13)23-10-24-19/h4-8,10H,3,9H2,1-2H3,(H,23,24,25,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2046
PNG
(2,8-disubstituted dipyridodiazepinone 29 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18ClN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2021
PNG
(2,8-Disubstituted Dipyridodiazepinone 37 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2021
PNG
(2,8-Disubstituted Dipyridodiazepinone 37 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2022
PNG
(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2040
PNG
(2,8-disubstituted dipyridodiazepinone 23 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(OC)c3)cnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-4-27-20-17(22(28)26(2)18-8-9-19(23)25-21(18)27)10-14(12-24-20)13-30-16-7-5-6-15(11-16)29-3/h5-12H,4,13H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2045
PNG
(2,8-disubstituted dipyridodiazepinone 28 | 2-ethyl...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18FN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2059
PNG
(2,8-disubstituted dipyridodiazepinone 42 | 2-Chlor...)
Show SMILES CCN1c2ncc(CSc3ncnc4nc[nH]c34)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C20H17ClN8OS/c1-3-29-17-12(20(30)28(2)13-4-5-14(21)27-18(13)29)6-11(7-22-17)8-31-19-15-16(24-9-23-15)25-10-26-19/h4-7,9-10H,3,8H2,1-2H3,(H,23,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2037
PNG
(2,8-disubstituted dipyridodiazepinone 19 | 3-({5-c...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(N)=O)cnc12
Show InChI InChI=1S/C22H20ClN5O3/c1-3-28-20-16(22(30)27(2)17-7-8-18(23)26-21(17)28)9-13(11-25-20)12-31-15-6-4-5-14(10-15)19(24)29/h4-11H,3,12H2,1-2H3,(H2,24,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2030
PNG
(2,8-disubstituted dipyridodiazepinone 10 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(O)c3)cnc12
Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-16(21(28)25(2)17-7-8-18(22)24-20(17)26)9-13(11-23-19)12-29-15-6-4-5-14(27)10-15/h4-11,27H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2036
PNG
(2,8-disubstituted dipyridodiazepinone 18 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(O)=O)cnc12
Show InChI InChI=1S/C22H19ClN4O4/c1-3-27-19-16(21(28)26(2)17-7-8-18(23)25-20(17)27)9-13(11-24-19)12-31-15-6-4-5-14(10-15)22(29)30/h4-11H,3,12H2,1-2H3,(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2055
PNG
(13-[(benzenesulfinyl)methyl]-5-chloro-2-ethyl-9-me...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)c3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O2S/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-29(28)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2044
PNG
(2,8-disubstituted dipyridodiazepinone 27 | 2-ethyl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H19N5O2/c1-3-25-18-16(20(26)24(2)17-5-4-8-22-19(17)25)11-14(12-23-18)13-27-15-6-9-21-10-7-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2022
PNG
(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2036
PNG
(2,8-disubstituted dipyridodiazepinone 18 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(O)=O)cnc12
Show InChI InChI=1S/C22H19ClN4O4/c1-3-27-19-16(21(28)26(2)17-7-8-18(23)25-20(17)27)9-13(11-24-19)12-31-15-6-4-5-14(10-15)22(29)30/h4-11H,3,12H2,1-2H3,(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2039
PNG
(2,8-disubstituted dipyridodiazepinone 21 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)[N+]([O-])=O)cnc12
Show InChI InChI=1S/C21H18ClN5O4/c1-3-26-19-16(21(28)25(2)17-7-8-18(22)24-20(17)26)9-13(11-23-19)12-31-15-6-4-5-14(10-15)27(29)30/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2032
PNG
(2,8-disubstituted dipyridodiazepinone 12 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3F)cnc12
Show InChI InChI=1S/C21H18ClFN4O2/c1-3-27-19-14(21(28)26(2)16-8-9-18(22)25-20(16)27)10-13(11-24-19)12-29-17-7-5-4-6-15(17)23/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2046
PNG
(2,8-disubstituted dipyridodiazepinone 29 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18ClN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2036
PNG
(2,8-disubstituted dipyridodiazepinone 18 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(O)=O)cnc12
Show InChI InChI=1S/C22H19ClN4O4/c1-3-27-19-16(21(28)26(2)17-7-8-18(23)25-20(17)27)9-13(11-24-19)12-31-15-6-4-5-14(10-15)22(29)30/h4-11H,3,12H2,1-2H3,(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2045
PNG
(2,8-disubstituted dipyridodiazepinone 28 | 2-ethyl...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18FN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2043
PNG
(2,8-disubstituted dipyridodiazepinone 26 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccnc3)cnc12
Show InChI InChI=1S/C20H18ClN5O2/c1-3-26-18-15(20(27)25(2)16-6-7-17(21)24-19(16)26)9-13(10-23-18)12-28-14-5-4-8-22-11-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2026
PNG
(2,8-disubstituted dipyridodiazepinone 6 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(cnc12)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C22H20ClN5O2/c1-4-28-19-16(22(30)27(3)17-10-11-18(23)25-20(17)28)12-15(13-24-19)26(2)21(29)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2025
PNG
(2,8-disubstituted dipyridodiazepinone 4 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O2/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2052
PNG
(2,8-disubstituted dipyridodiazepinone 35 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])c(C)c3)cnc12
Show InChI InChI=1S/C21H20ClN5O3/c1-4-26-19-16(21(28)25(3)17-5-6-18(22)24-20(17)26)10-14(11-23-19)12-30-15-7-8-27(29)13(2)9-15/h5-11H,4,12H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2031
PNG
(2,8-disubstituted dipyridodiazepinone 11 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(O)cc3)cnc12
Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-16(21(28)25(2)17-8-9-18(22)24-20(17)26)10-13(11-23-19)12-29-15-6-4-14(27)5-7-15/h4-11,27H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2049
PNG
(2,8-disubstituted dipyridodiazepinone 32 | 4-({2-e...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12
Show InChI InChI=1S/C20H19N5O3/c1-3-25-18-16(20(26)23(2)17-5-4-8-21-19(17)25)11-14(12-22-18)13-28-15-6-9-24(27)10-7-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2046
PNG
(2,8-disubstituted dipyridodiazepinone 29 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18ClN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2040
PNG
(2,8-disubstituted dipyridodiazepinone 23 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(OC)c3)cnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-4-27-20-17(22(28)26(2)18-8-9-19(23)25-21(18)27)10-14(12-24-20)13-30-16-7-5-6-15(11-16)29-3/h5-12H,4,13H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2024
PNG
(2,8-disubstituted dipyridodiazepinone 2 | 5-chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3ccccc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-9-10-18(22)25-20(17)27)11-14(13-24-19)12-23-15-7-5-4-6-8-15/h4-11,13,23H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2051
PNG
(2,8-disubstituted dipyridodiazepinone 34 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12
Show InChI InChI=1S/C20H18ClN5O3/c1-3-26-18-15(20(27)24(2)16-4-5-17(21)23-19(16)26)10-13(11-22-18)12-29-14-6-8-25(28)9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2047
PNG
(2,8-disubstituted dipyridodiazepinone 30 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(C)c3)cnc12
Show InChI InChI=1S/C21H20ClN5O2/c1-4-27-19-16(21(28)26(3)17-5-6-18(22)25-20(17)27)10-14(11-24-19)12-29-15-7-8-23-13(2)9-15/h5-11H,4,12H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2030
PNG
(2,8-disubstituted dipyridodiazepinone 10 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(O)c3)cnc12
Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-16(21(28)25(2)17-7-8-18(22)24-20(17)26)9-13(11-23-19)12-29-15-6-4-5-14(27)10-15/h4-11,27H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2023
PNG
(13-(benzylamino)-5-chloro-2-ethyl-9-methyl-2,4,9,1...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(NCc3ccccc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-9-10-18(22)25-20(17)27)11-15(13-24-19)23-12-14-7-5-4-6-8-14/h4-11,13,23H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2046
PNG
(2,8-disubstituted dipyridodiazepinone 29 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18ClN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2043
PNG
(2,8-disubstituted dipyridodiazepinone 26 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccnc3)cnc12
Show InChI InChI=1S/C20H18ClN5O2/c1-3-26-18-15(20(27)25(2)16-6-7-17(21)24-19(16)26)9-13(10-23-18)12-28-14-5-4-8-22-11-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2053
PNG
(2,8-disubstituted dipyridodiazepinone 36 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])c(c3)C(F)(F)F)cnc12
Show InChI InChI=1S/C21H17ClF3N5O3/c1-3-29-18-14(20(31)28(2)15-4-5-17(22)27-19(15)29)8-12(10-26-18)11-33-13-6-7-30(32)16(9-13)21(23,24)25/h4-10H,3,11H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2033
PNG
(2,8-disubstituted dipyridodiazepinone 14 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(F)cc3)cnc12
Show InChI InChI=1S/C21H18ClFN4O2/c1-3-27-19-16(21(28)26(2)17-8-9-18(22)25-20(17)27)10-13(11-24-19)12-29-15-6-4-14(23)5-7-15/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2037
PNG
(2,8-disubstituted dipyridodiazepinone 19 | 3-({5-c...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(N)=O)cnc12
Show InChI InChI=1S/C22H20ClN5O3/c1-3-28-20-16(22(30)27(2)17-7-8-18(23)26-21(17)28)9-13(11-25-20)12-31-15-6-4-5-14(10-15)19(24)29/h4-11H,3,12H2,1-2H3,(H2,24,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2040
PNG
(2,8-disubstituted dipyridodiazepinone 23 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(OC)c3)cnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-4-27-20-17(22(28)26(2)18-8-9-19(23)25-21(18)27)10-14(12-24-20)13-30-16-7-5-6-15(11-16)29-3/h5-12H,4,13H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2040
PNG
(2,8-disubstituted dipyridodiazepinone 23 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(OC)c3)cnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-4-27-20-17(22(28)26(2)18-8-9-19(23)25-21(18)27)10-14(12-24-20)13-30-16-7-5-6-15(11-16)29-3/h5-12H,4,13H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2044
PNG
(2,8-disubstituted dipyridodiazepinone 27 | 2-ethyl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H19N5O2/c1-3-25-18-16(20(26)24(2)17-5-4-8-22-19(17)25)11-14(12-23-18)13-27-15-6-9-21-10-7-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2050
PNG
(2,8-disubstituted dipyridodiazepinone 33 | 4-({2-e...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12
Show InChI InChI=1S/C20H18FN5O3/c1-3-26-18-15(20(27)24(2)16-4-5-17(21)23-19(16)26)10-13(11-22-18)12-29-14-6-8-25(28)9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2042
PNG
(2,8-disubstituted dipyridodiazepinone 25 | 2-Chlor...)
Show SMILES CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C23H20ClN5O2/c1-3-29-21-17(23(30)28(2)19-6-7-20(24)27-22(19)29)10-14(12-26-21)13-31-16-4-5-18-15(11-16)8-9-25-18/h4-12,25H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2041
PNG
(2,8-disubstituted dipyridodiazepinone 24 | 2-Chlor...)
Show SMILES CCN1c2ncc(COc3cccc4[nH]ccc34)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C23H20ClN5O2/c1-3-29-21-16(23(30)28(2)18-7-8-20(24)27-22(18)29)11-14(12-26-21)13-31-19-6-4-5-17-15(19)9-10-25-17/h4-12,25H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2037
PNG
(2,8-disubstituted dipyridodiazepinone 19 | 3-({5-c...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(N)=O)cnc12
Show InChI InChI=1S/C22H20ClN5O3/c1-3-28-20-16(22(30)27(2)17-7-8-18(23)26-21(17)28)9-13(11-25-20)12-31-15-6-4-5-14(10-15)19(24)29/h4-11H,3,12H2,1-2H3,(H2,24,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2029
PNG
(2,8-disubstituted dipyridodiazepinone 9 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3O)cnc12
Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-14(21(28)25(2)15-8-9-18(22)24-20(15)26)10-13(11-23-19)12-29-17-7-5-4-6-16(17)27/h4-11,27H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2039
PNG
(2,8-disubstituted dipyridodiazepinone 21 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)[N+]([O-])=O)cnc12
Show InChI InChI=1S/C21H18ClN5O4/c1-3-26-19-16(21(28)25(2)17-7-8-18(22)24-20(17)26)9-13(11-23-19)12-31-15-6-4-5-14(10-15)27(29)30/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2024
PNG
(2,8-disubstituted dipyridodiazepinone 2 | 5-chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3ccccc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-9-10-18(22)25-20(17)27)11-14(13-24-19)12-23-15-7-5-4-6-8-15/h4-11,13,23H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2038
PNG
(13-(3-aminophenoxymethyl)-5-chloro-2-ethyl-9-methy...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(N)c3)cnc12
Show InChI InChI=1S/C21H20ClN5O2/c1-3-27-19-16(21(28)26(2)17-7-8-18(22)25-20(17)27)9-13(11-24-19)12-29-15-6-4-5-14(23)10-15/h4-11H,3,12,23H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2023
PNG
(13-(benzylamino)-5-chloro-2-ethyl-9-methyl-2,4,9,1...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(NCc3ccccc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-9-10-18(22)25-20(17)27)11-15(13-24-19)23-12-14-7-5-4-6-8-14/h4-11,13,23H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2024
PNG
(2,8-disubstituted dipyridodiazepinone 2 | 5-chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3ccccc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-9-10-18(22)25-20(17)27)11-14(13-24-19)12-23-15-7-5-4-6-8-15/h4-11,13,23H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 510n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2021
PNG
(2,8-Disubstituted Dipyridodiazepinone 37 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2036
PNG
(2,8-disubstituted dipyridodiazepinone 18 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(O)=O)cnc12
Show InChI InChI=1S/C22H19ClN4O4/c1-3-27-19-16(21(28)26(2)17-7-8-18(23)25-20(17)27)9-13(11-24-19)12-31-15-6-4-5-14(10-15)22(29)30/h4-11H,3,12H2,1-2H3,(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2032
PNG
(2,8-disubstituted dipyridodiazepinone 12 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3F)cnc12
Show InChI InChI=1S/C21H18ClFN4O2/c1-3-27-19-14(21(28)26(2)16-8-9-18(22)25-20(16)27)10-13(11-24-19)12-29-17-7-5-4-6-15(17)23/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2027
PNG
(2,8-disubstituted dipyridodiazepinone 7 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CN(C)c3ccccc3)cnc12
Show InChI InChI=1S/C22H22ClN5O/c1-4-28-20-17(22(29)27(3)18-10-11-19(23)25-21(18)28)12-15(13-24-20)14-26(2)16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2025
PNG
(2,8-disubstituted dipyridodiazepinone 4 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O2/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2034
PNG
(2,8-disubstituted dipyridodiazepinone 16 | 2-Chlor...)
Show SMILES CCN1c2ncc(COc3cccc(c3)C(=O)OC)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C23H21ClN4O4/c1-4-28-20-17(22(29)27(2)18-8-9-19(24)26-21(18)28)10-14(12-25-20)13-32-16-7-5-6-15(11-16)23(30)31-3/h5-12H,4,13H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2022
PNG
(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2041
PNG
(2,8-disubstituted dipyridodiazepinone 24 | 2-Chlor...)
Show SMILES CCN1c2ncc(COc3cccc4[nH]ccc34)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C23H20ClN5O2/c1-3-29-21-16(23(30)28(2)18-7-8-20(24)27-22(18)29)11-14(12-26-21)13-31-19-6-4-5-17-15(19)9-10-25-17/h4-12,25H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2030
PNG
(2,8-disubstituted dipyridodiazepinone 10 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(O)c3)cnc12
Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-16(21(28)25(2)17-7-8-18(22)24-20(17)26)9-13(11-23-19)12-29-15-6-4-5-14(27)10-15/h4-11,27H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2024
PNG
(2,8-disubstituted dipyridodiazepinone 2 | 5-chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3ccccc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-9-10-18(22)25-20(17)27)11-14(13-24-19)12-23-15-7-5-4-6-8-15/h4-11,13,23H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2035
PNG
(2,8-disubstituted dipyridodiazepinone 17 | 2-chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(cc3)C(=O)OC)cnc12
Show InChI InChI=1S/C23H21ClN4O4/c1-4-28-20-17(22(29)27(2)18-9-10-19(24)26-21(18)28)11-14(12-25-20)13-32-16-7-5-15(6-8-16)23(30)31-3/h5-12H,4,13H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2022
PNG
(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2022
PNG
(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 960n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2049
PNG
(2,8-disubstituted dipyridodiazepinone 32 | 4-({2-e...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12
Show InChI InChI=1S/C20H19N5O3/c1-3-25-18-16(20(26)23(2)17-5-4-8-21-19(17)25)11-14(12-22-18)13-28-15-6-9-24(27)10-7-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2041
PNG
(2,8-disubstituted dipyridodiazepinone 24 | 2-Chlor...)
Show SMILES CCN1c2ncc(COc3cccc4[nH]ccc34)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C23H20ClN5O2/c1-3-29-21-16(23(30)28(2)18-7-8-20(24)27-22(18)29)11-14(12-26-21)13-31-19-6-4-5-17-15(19)9-10-25-17/h4-12,25H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.36E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 1.48E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2033
PNG
(2,8-disubstituted dipyridodiazepinone 14 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(F)cc3)cnc12
Show InChI InChI=1S/C21H18ClFN4O2/c1-3-27-19-16(21(28)26(2)17-8-9-18(22)25-20(17)27)10-13(11-24-19)12-29-15-6-4-14(23)5-7-15/h4-11H,3,12H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 1.85E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2021
PNG
(2,8-Disubstituted Dipyridodiazepinone 37 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.85E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2055
PNG
(13-[(benzenesulfinyl)methyl]-5-chloro-2-ethyl-9-me...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)c3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O2S/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-29(28)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.42E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 3.93E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2052
PNG
(2,8-disubstituted dipyridodiazepinone 35 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])c(C)c3)cnc12
Show InChI InChI=1S/C21H20ClN5O3/c1-4-26-19-16(21(28)25(3)17-5-6-18(22)24-20(17)26)10-14(11-23-19)12-30-15-7-8-27(29)13(2)9-15/h5-11H,4,12H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.31E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2044
PNG
(2,8-disubstituted dipyridodiazepinone 27 | 2-ethyl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H19N5O2/c1-3-25-18-16(20(26)24(2)17-5-4-8-22-19(17)25)11-14(12-23-18)13-27-15-6-9-21-10-7-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.52E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2056
PNG
(13-[(benzenesulfonyl)methyl]-5-chloro-2-ethyl-9-me...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)(=O)c3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O3S/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-30(28,29)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 41: 2972-84 (1998)


Article DOI: 10.1021/jm9707030
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%