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BDBM1368 9b-(3-methylphenyl)-2H,3H,5H,9bH-isoindolo[1,2-b][1,3]thiazol-5-one::CHEMBL85446::Thiazoloisoindol-5-one deriv. 13

SMILES: Cc1cccc(c1)C12SCCN1C(=O)c1ccccc21

InChI Key: InChIKey=FQVDJZWFSZSGGA-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 1368   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
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
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


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


(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)