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PubMed code 7681480

Compile data set for download or QSAR
Found 7 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)
BDBM1368
PNG
(9b-(3-methylphenyl)-2H,3H,5H,9bH-isoindolo[1,2-b][...)
Show SMILES Cc1cccc(c1)C12SCCN1C(=O)c1ccccc21
Show InChI InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3
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PC sid
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PubMed
n/an/a 30n/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against HIV-1 Reverse Transcriptase


J Med Chem 36: 726-32 (1993)

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


(Human immunodeficiency virus 1)
BDBM1361
PNG
(9b-(naphthalen-1-yl)-2H,3H,5H,9bH-isoindolo[1,2-b]...)
Show SMILES O=C1N2CCSC2(c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C20H15NOS/c22-19-16-9-3-4-10-18(16)20(21(19)12-13-23-20)17-11-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2
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PC sid
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PubMed
n/an/a 150n/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against HIV-1 Reverse Transcriptase


J Med Chem 36: 726-32 (1993)

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


(Human immunodeficiency virus 1)
BDBM50010223
PNG
((S)-7-Allyl-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-...)
Show SMILES CC1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |(15.04,-5.91,;13.5,-5.93,;12.84,-4.55,;11.35,-4.21,;10.14,-5.17,;10.14,-6.71,;11.35,-7.67,;12.84,-7.33,;13.8,-8.55,;13.22,-9.98,;14.18,-11.19,;13.6,-12.63,;15.71,-10.98,;8.81,-7.48,;7.48,-6.71,;7.48,-5.17,;8.81,-4.4,;9.14,-2.88,;10.79,-2.76,;11.7,-1.5,)|
Show InChI InChI=1S/C16H21N3S/c1-11(2)7-8-18-10-13-5-4-6-14-15(13)19(9-12(18)3)16(20)17-14/h4-7,12H,8-10H2,1-3H3,(H,17,20)
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n/an/a 160n/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against HIV-1 Reverse Transcriptase


J Med Chem 36: 726-32 (1993)

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


(Human immunodeficiency virus 1)
BDBM1354
PNG
(9-Phenyl-2,3-Dihydrothiazola[2,3-a]isoindol-5(9bH)...)
Show SMILES O=C1N2CCSC2(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H13NOS/c18-15-13-8-4-5-9-14(13)16(17(15)10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2
PDB
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n/an/a 280n/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against HIV-1 Reverse Transcriptase


J Med Chem 36: 726-32 (1993)

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)
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PubMed
n/an/a 430n/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against HIV-1 Reverse Transcriptase


J Med Chem 36: 726-32 (1993)

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


(Human immunodeficiency virus 1)
BDBM50033579
PNG
(16-thia-9-azatetracyclo[7.6.3.02,7.010,15]octadeca...)
Show SMILES O=C1N2CCS[C@@H](c3ccccc23)c2ccccc12 |THB:8:7:1.18.13:5.3.4,11:12:1.18.13:5.3.4|
Show InChI InChI=1S/C16H13NOS/c18-16-12-6-2-1-5-11(12)15-13-7-3-4-8-14(13)17(16)9-10-19-15/h1-8,15H,9-10H2/t15-/m1/s1
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n/an/a 830n/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against HIV-1 Reverse Transcriptase


J Med Chem 36: 726-32 (1993)

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


(Human immunodeficiency virus 1)
BDBM50033578
PNG
(9b-Phenyl-2,3-dihydro-9bH-thiazolo[2,3-a]isoindol-...)
Show SMILES O=C1c2ccccc2[C@@]23CC=CCC12c1ccccc1C3=O |c:11|
Show InChI InChI=1S/C20H14O2/c21-17-13-7-1-3-9-15(13)19-11-5-6-12-20(17,19)16-10-4-2-8-14(16)18(19)22/h1-10H,11-12H2/t19-,20?/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against HIV-1 Reverse Transcriptase


J Med Chem 36: 726-32 (1993)

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