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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein Tat' and Ligand = 'BDBM50032828'   
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
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50032828
PNG
(7-Chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-benzo[e][1...)
Show SMILES Clc1ccc2NC(=O)CN=C(c3ccc[nH]3)c2c1 |t:9|
Show InChI InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50032828
PNG
(7-Chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-benzo[e][1...)
Show SMILES Clc1ccc2NC(=O)CN=C(c3ccc[nH]3)c2c1 |t:9|
Show InChI InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 nuclear regulatory protein Tat


J Med Chem 36: 2701-2 (1993)


BindingDB Entry DOI: 10.7270/Q2NG4PP3
More data for this
Ligand-Target Pair