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PubMed code 9873507

Compile data set for download or QSAR
Found 15 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)
BDBM50071365
PNG
(5-Cyclopropyl-5H-4,5,6-triaza-dibenzo[a,d]cyclohep...)
Show SMILES C1CC1N1c2ncccc2C=Cc2cccnc12 |c:12|
Show InChI InChI=1S/C15H13N3/c1-3-11-5-6-12-4-2-10-17-15(12)18(13-7-8-13)14(11)16-9-1/h1-6,9-10,13H,7-8H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (Y181C)


Bioorg Med Chem Lett 8: 2169-72 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071364
PNG
(5-Ethyl-5H-4,5,6-triaza-dibenzo[a,d]cycloheptene |...)
Show SMILES CCN1c2ncccc2C=Cc2cccnc12 |c:10|
Show InChI InChI=1S/C14H13N3/c1-2-17-13-11(5-3-9-15-13)7-8-12-6-4-10-16-14(12)17/h3-10H,2H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (P236L)


Bioorg Med Chem Lett 8: 2169-72 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071365
PNG
(5-Cyclopropyl-5H-4,5,6-triaza-dibenzo[a,d]cyclohep...)
Show SMILES C1CC1N1c2ncccc2C=Cc2cccnc12 |c:12|
Show InChI InChI=1S/C15H13N3/c1-3-11-5-6-12-4-2-10-17-15(12)18(13-7-8-13)14(11)16-9-1/h1-6,9-10,13H,7-8H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 wild type reverse transcriptase


Bioorg Med Chem Lett 8: 2169-72 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071364
PNG
(5-Ethyl-5H-4,5,6-triaza-dibenzo[a,d]cycloheptene |...)
Show SMILES CCN1c2ncccc2C=Cc2cccnc12 |c:10|
Show InChI InChI=1S/C14H13N3/c1-2-17-13-11(5-3-9-15-13)7-8-12-6-4-10-16-14(12)17/h3-10H,2H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (K103N)


Bioorg Med Chem Lett 8: 2169-72 (1999)

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
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PDB
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PDB
PubMed
n/an/a 60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (P236L)


Bioorg Med Chem Lett 8: 2169-72 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071365
PNG
(5-Cyclopropyl-5H-4,5,6-triaza-dibenzo[a,d]cyclohep...)
Show SMILES C1CC1N1c2ncccc2C=Cc2cccnc12 |c:12|
Show InChI InChI=1S/C15H13N3/c1-3-11-5-6-12-4-2-10-17-15(12)18(13-7-8-13)14(11)16-9-1/h1-6,9-10,13H,7-8H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 150n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (K103N)


Bioorg Med Chem Lett 8: 2169-72 (1999)

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

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CHEMBL
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PDB
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Patents

PDB
PubMed
n/an/a 170n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 wild type reverse transcriptase


Bioorg Med Chem Lett 8: 2169-72 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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CHEMBL
DrugBank
KEGG
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PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 180n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (K103N)


Bioorg Med Chem Lett 8: 2169-72 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071364
PNG
(5-Ethyl-5H-4,5,6-triaza-dibenzo[a,d]cycloheptene |...)
Show SMILES CCN1c2ncccc2C=Cc2cccnc12 |c:10|
Show InChI InChI=1S/C14H13N3/c1-2-17-13-11(5-3-9-15-13)7-8-12-6-4-10-16-14(12)17/h3-10H,2H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 230n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 wild type reverse transcriptase


Bioorg Med Chem Lett 8: 2169-72 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071365
PNG
(5-Cyclopropyl-5H-4,5,6-triaza-dibenzo[a,d]cyclohep...)
Show SMILES C1CC1N1c2ncccc2C=Cc2cccnc12 |c:12|
Show InChI InChI=1S/C15H13N3/c1-3-11-5-6-12-4-2-10-17-15(12)18(13-7-8-13)14(11)16-9-1/h1-6,9-10,13H,7-8H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 630n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (L1001)


Bioorg Med Chem Lett 8: 2169-72 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071365
PNG
(5-Cyclopropyl-5H-4,5,6-triaza-dibenzo[a,d]cyclohep...)
Show SMILES C1CC1N1c2ncccc2C=Cc2cccnc12 |c:12|
Show InChI InChI=1S/C15H13N3/c1-3-11-5-6-12-4-2-10-17-15(12)18(13-7-8-13)14(11)16-9-1/h1-6,9-10,13H,7-8H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 960n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (L1001)


Bioorg Med Chem Lett 8: 2169-72 (1999)

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

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CHEMBL
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PDB
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Patents

PDB
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (Y181C)


Bioorg Med Chem Lett 8: 2169-72 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071364
PNG
(5-Ethyl-5H-4,5,6-triaza-dibenzo[a,d]cycloheptene |...)
Show SMILES CCN1c2ncccc2C=Cc2cccnc12 |c:10|
Show InChI InChI=1S/C14H13N3/c1-2-17-13-11(5-3-9-15-13)7-8-12-6-4-10-16-14(12)17/h3-10H,2H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (P236L)


Bioorg Med Chem Lett 8: 2169-72 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071364
PNG
(5-Ethyl-5H-4,5,6-triaza-dibenzo[a,d]cycloheptene |...)
Show SMILES CCN1c2ncccc2C=Cc2cccnc12 |c:10|
Show InChI InChI=1S/C14H13N3/c1-2-17-13-11(5-3-9-15-13)7-8-12-6-4-10-16-14(12)17/h3-10H,2H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
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UniChem

Patents

PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (L1001)


Bioorg Med Chem Lett 8: 2169-72 (1999)

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
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UniProtKB/TrEMBL

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CHEMBL
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PDB
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (Y181C)


Bioorg Med Chem Lett 8: 2169-72 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%