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BDBM50113835 4-Fluoro-benzylamine::4-fluorobenzylamine::CHEMBL12392::Integrase inhibitor, R1{2}

SMILES: NCc1ccc(F)cc1

InChI Key: InChIKey=IIFVWLUQBAIPMJ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50113835   
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
Trypsin-1


(Homo sapiens (human))
BDBM50113835
PNG
(4-Fluoro-benzylamine | 4-fluorobenzylamine | CHEMB...)
Show SMILES NCc1ccc(F)cc1
Show InChI InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
430n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against bovine trypsin


J Med Chem 45: 2469-83 (2002)


Article DOI: 10.1021/jm0200299
BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50113835
PNG
(4-Fluoro-benzylamine | 4-fluorobenzylamine | CHEMB...)
Show SMILES NCc1ccc(F)cc1
Show InChI InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.05E+3n/an/an/an/an/an/a



Bristol-Myers Squibb



Assay Description
Inhibition assay using HIV-1 integrase.


J Comb Chem 12: 84-90


Article DOI: 10.1021/cc9001026
BindingDB Entry DOI: 10.7270/Q2Q81BNX
More data for this
Ligand-Target Pair