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PubMed code 9083491

Compile data set for download or QSAR
Found 8 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)
BDBM50057028
PNG
((11S,12S)-12-Hydroxy-6,6,11-trimethyl-4-propyl-11,...)
Show SMILES CCCc1cc(=O)oc2c3[C@@H](O)[C@@H](C)COc3c3C=CC(C)(C)Oc3c12 |c:19|
Show InChI InChI=1S/C21H24O5/c1-5-6-12-9-14(22)25-20-15(12)19-13(7-8-21(3,4)26-19)18-16(20)17(23)11(2)10-24-18/h7-9,11,17,23H,5-6,10H2,1-4H3/t11-,17-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.00E+4n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057029
PNG
((10R,11S,12S)-10-Ethyl-12-hydroxy-6,6,11-trimethyl...)
Show SMILES CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](CC)Oc3c3C=CC(C)(C)Oc3c12 |c:21|
Show InChI InChI=1S/C23H28O5/c1-6-8-13-11-16(24)27-22-17(13)21-14(9-10-23(4,5)28-21)20-18(22)19(25)12(3)15(7-2)26-20/h9-12,15,19,25H,6-8H2,1-5H3/t12-,15-,19+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057030
PNG
((10R,11S,12R)-10-Ethyl-12-hydroxy-6,6,11-trimethyl...)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](CC)Oc3c3C=CC(C)(C)Oc3c12 |c:21|
Show InChI InChI=1S/C23H28O5/c1-6-8-13-11-16(24)27-22-17(13)21-14(9-10-23(4,5)28-21)20-18(22)19(25)12(3)15(7-2)26-20/h9-12,15,19,25H,6-8H2,1-5H3/t12-,15-,19-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002662
PNG
((+)-calanolide A | (+)-calnolide A | (10R,11S,12S)...)
Show SMILES CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |r,c:20|
Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 320n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057037
PNG
((11R,12R)-12-Hydroxy-6,6,10,10,11-pentamethyl-4-pr...)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@@H](C)C(C)(C)Oc3c3C=CC(C)(C)Oc3c12 |c:21|
Show InChI InChI=1S/C23H28O5/c1-7-8-13-11-15(24)26-21-16(13)19-14(9-10-22(3,4)27-19)20-17(21)18(25)12(2)23(5,6)28-20/h9-12,18,25H,7-8H2,1-6H3/t12-,18-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002665
PNG
((10R,11S)-6,6,10,11-Tetramethyl-4-propyl-10,11-dih...)
Show SMILES CCCc1cc(=O)oc2c3C(=O)[C@@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|
Show InChI InChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12H,6-7H2,1-5H3/t11-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50054452
PNG
((10R,11R)-6,6,10,11-Tetramethyl-4-propyl-10,11-dih...)
Show SMILES CCCc1cc(=O)oc2c3C(=O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|
Show InChI InChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12H,6-7H2,1-5H3/t11-,12-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 4.00E+4n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057014
PNG
((10R,12R)-12-Hydroxy-6,6,10,11,11-pentamethyl-4-pr...)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)C(C)(C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:21|
Show InChI InChI=1S/C23H28O5/c1-7-8-13-11-15(24)27-20-16(13)19-14(9-10-22(3,4)28-19)18-17(20)21(25)23(5,6)12(2)26-18/h9-12,21,25H,7-8H2,1-6H3/t12-,21+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20E+4n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%