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PubMed code 12431069

Compile data set for download or QSAR
Found 11 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)
BDBM50101397
PNG
(2-(2,6-Dichloro-phenyl)-3-(6-methyl-pyridin-2-yl)-...)
Show SMILES Cc1cccc(n1)N1C(SCC1=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H12Cl2N2OS/c1-9-4-2-7-12(18-9)19-13(20)8-21-15(19)14-10(16)5-3-6-11(14)17/h2-7,15H,8H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.24E+3n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)

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


(Human immunodeficiency virus 1)
BDBM50101407
PNG
(2-(2,6-Difluoro-phenyl)-3-(4-methyl-pyridin-2-yl)-...)
Show SMILES Cc1ccnc(c1)N1C(SCC1=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N2OS/c1-9-5-6-18-12(7-9)19-13(20)8-21-15(19)14-10(16)3-2-4-11(14)17/h2-7,15H,8H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.84E+3n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)

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


(Human immunodeficiency virus 1)
BDBM50121354
PNG
(2-(2-Fluoro-6-methyl-phenyl)-3-(6-methyl-pyridin-2...)
Show SMILES Cc1cccc(n1)N1C(SCC1=O)c1c(C)cccc1F
Show InChI InChI=1S/C16H15FN2OS/c1-10-5-3-7-12(17)15(10)16-19(14(20)9-21-16)13-8-4-6-11(2)18-13/h3-8,16H,9H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.85E+3n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)

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


(Human immunodeficiency virus 1)
BDBM50101404
PNG
(2-(2,6-Difluoro-phenyl)-3-(6-methyl-pyridin-2-yl)-...)
Show SMILES Cc1cccc(n1)N1C(SCC1=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N2OS/c1-9-4-2-7-12(18-9)19-13(20)8-21-15(19)14-10(16)5-3-6-11(14)17/h2-7,15H,8H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)

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


(Human immunodeficiency virus 1)
BDBM50121357
PNG
(2-(2,6-Difluoro-phenyl)-3-(4,6-dimethyl-pyridin-2-...)
Show SMILES Cc1cc(C)nc(c1)N1C(SCC1=O)c1c(F)cccc1F
Show InChI InChI=1S/C16H14F2N2OS/c1-9-6-10(2)19-13(7-9)20-14(21)8-22-16(20)15-11(17)4-3-5-12(15)18/h3-7,16H,8H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.12E+3n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)

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


(Human immunodeficiency virus 1)
BDBM50121350
PNG
(2-(2-Chloro-6-fluoro-phenyl)-3-(4-methyl-pyridin-2...)
Show SMILES Cc1ccnc(c1)N1C(SCC1=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C15H12ClFN2OS/c1-9-5-6-18-12(7-9)19-13(20)8-21-15(19)14-10(16)3-2-4-11(14)17/h2-7,15H,8H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.12E+3n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)

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


(Human immunodeficiency virus 1)
BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)

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


(Human immunodeficiency virus 1)
BDBM50121352
PNG
(2-(2-Chloro-6-methyl-phenyl)-3-(5-methyl-pyridin-2...)
Show SMILES Cc1ccc(nc1)N1C(SCC1=O)c1c(C)cccc1Cl
Show InChI InChI=1S/C16H15ClN2OS/c1-10-6-7-13(18-8-10)19-14(20)9-21-16(19)15-11(2)4-3-5-12(15)17/h3-8,16H,9H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.24E+4n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)

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


(Human immunodeficiency virus 1)
BDBM50121351
PNG
(3-(5-Bromo-pyridin-2-yl)-2-(2,6-dichloro-phenyl)-t...)
Show SMILES Clc1cccc(Cl)c1C1SCC(=O)N1c1ccc(Br)cn1
Show InChI InChI=1S/C14H9BrCl2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.66E+4n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)

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


(Human immunodeficiency virus 1)
BDBM50121356
PNG
(3-(5-Bromo-pyridin-2-yl)-2-(2,6-difluoro-phenyl)-t...)
Show SMILES Fc1cccc(F)c1C1SCC(=O)N1c1ccc(Br)cn1
Show InChI InChI=1S/C14H9BrF2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.14E+4n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)

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


(Human immunodeficiency virus 1)
BDBM50121353
PNG
(3-(5-Chloro-pyridin-2-yl)-2-(2,6-difluoro-phenyl)-...)
Show SMILES Fc1cccc(F)c1C1SCC(=O)N1c1ccc(Cl)cn1
Show InChI InChI=1S/C14H9ClF2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)

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