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PubMed code 10636251

Compile data set for download or QSAR
Found 14 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)
BDBM50206060
PNG
(1-(2,5-dimethoxyphenethyl)-3-(5-bromopyridin-2-yl)...)
Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2ccc(Br)cn2)c1
Show InChI InChI=1S/C16H18BrN3O2S/c1-21-13-4-5-14(22-2)11(9-13)7-8-18-16(23)20-15-6-3-12(17)10-19-15/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20,23)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 100n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50084098
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(3-methoxy-phenyl)-e...)
Show SMILES COc1cccc(CCNC(=S)Nc2ccc(Br)cn2)c1
Show InChI InChI=1S/C15H16BrN3OS/c1-20-13-4-2-3-11(9-13)7-8-17-15(21)19-14-6-5-12(16)10-18-14/h2-6,9-10H,7-8H2,1H3,(H2,17,18,19,21)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 400n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50078263
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(2-fluoro-phenyl)-et...)
Show SMILES Fc1ccccc1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C14H13BrFN3S/c15-11-5-6-13(18-9-11)19-14(20)17-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2,(H2,17,18,19,20)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 600n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50078261
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(2-chloro-phenyl)-et...)
Show SMILES Clc1ccccc1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C14H13BrClN3S/c15-11-5-6-13(18-9-11)19-14(20)17-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2,(H2,17,18,19,20)
PDB
MMDB

UniProtKB/TrEMBL

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



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50078255
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(3-fluoro-phenyl)-et...)
Show SMILES Fc1cccc(CCNC(=S)Nc2ccc(Br)cn2)c1
Show InChI InChI=1S/C14H13BrFN3S/c15-11-4-5-13(18-9-11)19-14(20)17-7-6-10-2-1-3-12(16)8-10/h1-5,8-9H,6-7H2,(H2,17,18,19,20)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 700n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50084094
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-methoxy-phenyl)-e...)
Show SMILES COc1ccc(CCNC(=S)Nc2ccc(Br)cn2)cc1
Show InChI InChI=1S/C15H16BrN3OS/c1-20-13-5-2-11(3-6-13)8-9-17-15(21)19-14-7-4-12(16)10-18-14/h2-7,10H,8-9H2,1H3,(H2,17,18,19,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 900n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50084093
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(2-methoxy-phenyl)-e...)
Show SMILES COc1ccccc1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C15H16BrN3OS/c1-20-13-5-3-2-4-11(13)8-9-17-15(21)19-14-7-6-12(16)10-18-14/h2-7,10H,8-9H2,1H3,(H2,17,18,19,21)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM1885
PNG
(3-(5-bromopyridin-2-yl)-1-(2-phenylethyl)thiourea ...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccc2)nc1
Show InChI InChI=1S/C14H14BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,17,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50078254
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-fluoro-phenyl)-et...)
Show SMILES Fc1ccc(CCNC(=S)Nc2ccc(Br)cn2)cc1
Show InChI InChI=1S/C14H13BrFN3S/c15-11-3-6-13(18-9-11)19-14(20)17-8-7-10-1-4-12(16)5-2-10/h1-6,9H,7-8H2,(H2,17,18,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50084095
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(2-chloro-phenyl)-et...)
Show SMILES CSC(NCCc1ccccc1Cl)=Nc1ccc(Br)cn1 |w:13.14|
Show InChI InChI=1S/C15H15BrClN3S/c1-21-15(20-14-7-6-12(16)10-19-14)18-9-8-11-4-2-3-5-13(11)17/h2-7,10H,8-9H2,1H3,(H,18,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50084092
PNG
(2-Benzyl-1-(5-bromo-pyridin-2-yl)-3-[2-(2-chloro-p...)
Show SMILES Clc1ccccc1CCNC(SCc1ccccc1)=Nc1ccc(Br)cn1 |w:19.21|
Show InChI InChI=1S/C21H19BrClN3S/c22-18-10-11-20(25-14-18)26-21(27-15-16-6-2-1-3-7-16)24-13-12-17-8-4-5-9-19(17)23/h1-11,14H,12-13,15H2,(H,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50084096
PNG
(2-Benzyl-1-(5-bromo-pyridin-2-yl)-3-[2-(2,5-dimeth...)
Show SMILES COc1ccc(OC)c(CCNC(SCc2ccccc2)=Nc2ccc(Br)cn2)c1 |w:21.22|
Show InChI InChI=1S/C23H24BrN3O2S/c1-28-20-9-10-21(29-2)18(14-20)12-13-25-23(27-22-11-8-19(24)15-26-22)30-16-17-6-4-3-5-7-17/h3-11,14-15H,12-13,16H2,1-2H3,(H,25,26,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

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



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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


(Human immunodeficiency virus 1)
BDBM50084097
PNG
(2-Benzyl-1-(5-bromo-pyridin-2-yl)-3-[2-(2-fluoro-p...)
Show SMILES Fc1ccccc1CCNC(SCc1ccccc1)=Nc1ccc(Br)cn1 |w:19.21|
Show InChI InChI=1S/C21H19BrFN3S/c22-18-10-11-20(25-14-18)26-21(27-15-16-6-2-1-3-7-16)24-13-12-17-8-4-5-9-19(17)23/h1-11,14H,12-13,15H2,(H,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)

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