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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 reverse transcriptase' and Ligand = 'BDBM50102275'   
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)
BDBM50102275
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-pyrrolo[1,...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C19H16BrN5OS/c20-13-7-8-17(22-12-13)23-19(27)21-9-11-25-15-5-2-1-4-14(15)24-10-3-6-16(24)18(25)26/h1-8,10,12H,9,11H2,(H2,21,22,23,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
58n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102275
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-pyrrolo[1,...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C19H16BrN5OS/c20-13-7-8-17(22-12-13)23-19(27)21-9-11-25-15-5-2-1-4-14(15)24-10-3-6-16(24)18(25)26/h1-8,10,12H,9,11H2,(H2,21,22,23,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
100n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution K103N


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102275
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-pyrrolo[1,...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C19H16BrN5OS/c20-13-7-8-17(22-12-13)23-19(27)21-9-11-25-15-5-2-1-4-14(15)24-10-3-6-16(24)18(25)26/h1-8,10,12H,9,11H2,(H2,21,22,23,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
105n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution L1001


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102275
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-pyrrolo[1,...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C19H16BrN5OS/c20-13-7-8-17(22-12-13)23-19(27)21-9-11-25-15-5-2-1-4-14(15)24-10-3-6-16(24)18(25)26/h1-8,10,12H,9,11H2,(H2,21,22,23,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
112n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102275
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-pyrrolo[1,...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C19H16BrN5OS/c20-13-7-8-17(22-12-13)23-19(27)21-9-11-25-15-5-2-1-4-14(15)24-10-3-6-16(24)18(25)26/h1-8,10,12H,9,11H2,(H2,21,22,23,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y188L


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102275
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-pyrrolo[1,...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C19H16BrN5OS/c20-13-7-8-17(22-12-13)23-19(27)21-9-11-25-15-5-2-1-4-14(15)24-10-3-6-16(24)18(25)26/h1-8,10,12H,9,11H2,(H2,21,22,23,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y181I


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair