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SMILES: C[C@H](Nc1c(nc(Br)c2cccnc12)C(=O)NCc1ccc(F)cc1)c1ccccc1

InChI Key: InChIKey=UPDKSRKBFKJJPU-HNNXBMFYSA-N

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 = 50485901   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50485901
PNG
(CHEMBL2180595)
Show SMILES C[C@H](Nc1c(nc(Br)c2cccnc12)C(=O)NCc1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H20BrFN4O/c1-15(17-6-3-2-4-7-17)29-21-20-19(8-5-13-27-20)23(25)30-22(21)24(31)28-14-16-9-11-18(26)12-10-16/h2-13,15,29H,14H2,1H3,(H,28,31)/t15-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50485901
PNG
(CHEMBL2180595)
Show SMILES C[C@H](Nc1c(nc(Br)c2cccnc12)C(=O)NCc1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H20BrFN4O/c1-15(17-6-3-2-4-7-17)29-21-20-19(8-5-13-27-20)23(25)30-22(21)24(31)28-14-16-9-11-18(26)12-10-16/h2-13,15,29H,14H2,1H3,(H,28,31)/t15-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate


J Med Chem 55: 9492-509 (2012)


Article DOI: 10.1021/jm300667v
BindingDB Entry DOI: 10.7270/Q2KS6VF8
More data for this
Ligand-Target Pair