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PDB code 1C0T

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits 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

  (437/440 > 99%)
(Human immunodeficiency virus 1)
BDBM1368
PNG
(9b-(3-methylphenyl)-2H,3H,5H,9bH-isoindolo[1,2-b][...)
Show SMILES Cc1cccc(c1)C12SCCN1C(=O)c1ccccc21
Show InChI InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3
PDB
MMDB

B.MOAD
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PC cid
PC sid
PDB
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Similars

PDB
PubMed
n/an/a 30n/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against HIV-1 Reverse Transcriptase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase

  (439/440 > 99%)
(Human immunodeficiency virus type 1)
BDBM1368
PNG
(9b-(3-methylphenyl)-2H,3H,5H,9bH-isoindolo[1,2-b][...)
Show SMILES Cc1cccc(c1)C12SCCN1C(=O)c1ccccc21
Show InChI InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3
PDB
MMDB

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

Patents


Similars

PDB
PubMed
n/an/a 35n/an/an/an/a7.737



Boehringer Mannheim GmbH



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase

  (439/440 > 99%)
(Human immunodeficiency virus type 1)
BDBM1369
PNG
((9bR)-9b-(3-methylphenyl)-2H,3H,5H,9bH-isoindolo[1...)
Show SMILES Cc1cccc(c1)[C@]12SCCN1C(=O)c1ccccc21
Show InChI InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3/t17-/m1/s1
PDB
MMDB

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

Similars

PDB
PubMed
n/an/a 35n/an/an/an/a7.737



Boehringer Mannheim GmbH



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output