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BDBM50409857 CHEMBL339347

SMILES: Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc1nc2ccccc2nc1-c1ccc(Cl)cc1

InChI Key: InChIKey=LPXHZSBXBCYGMB-UHFFFAOYSA-N

Data: 2 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 = 50409857   
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 integrase


(Human immunodeficiency virus 1)
BDBM50409857
PNG
(CHEMBL339347)
Show SMILES Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc1nc2ccccc2nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl2N3O2S2/c1-12-10-19(18(29)11-15(12)23)30(27,28)26-21-20(13-6-8-14(22)9-7-13)24-16-4-2-3-5-17(16)25-21/h2-11,29H,1H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory activity against 3' processing by HIV integrase


J Med Chem 47: 385-99 (2004)


Article DOI: 10.1021/jm030378i
BindingDB Entry DOI: 10.7270/Q2M61MFX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50409857
PNG
(CHEMBL339347)
Show SMILES Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc1nc2ccccc2nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl2N3O2S2/c1-12-10-19(18(29)11-15(12)23)30(27,28)26-21-20(13-6-8-14(22)9-7-13)24-16-4-2-3-5-17(16)25-21/h2-11,29H,1H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA strand transfer by HIV integrase


J Med Chem 47: 385-99 (2004)


Article DOI: 10.1021/jm030378i
BindingDB Entry DOI: 10.7270/Q2M61MFX
More data for this
Ligand-Target Pair