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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50168052   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50168052
PNG
((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...)
Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

MMDB
PDB
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)


J Med Chem 48: 3858-73 (2005)


Article DOI: 10.1021/jm049252r
BindingDB Entry DOI: 10.7270/Q2GH9JQK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50168052
PNG
((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...)
Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

MMDB
PDB
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)


J Med Chem 48: 3858-73 (2005)


Article DOI: 10.1021/jm049252r
BindingDB Entry DOI: 10.7270/Q2GH9JQK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50168052
PNG
((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...)
Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

MMDB
PDB
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)


J Med Chem 48: 3858-73 (2005)


Article DOI: 10.1021/jm049252r
BindingDB Entry DOI: 10.7270/Q2GH9JQK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50168052
PNG
((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...)
Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

MMDB
PDB
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)


J Med Chem 48: 3858-73 (2005)


Article DOI: 10.1021/jm049252r
BindingDB Entry DOI: 10.7270/Q2GH9JQK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)