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BDBM50197638 CHEMBL225417::bis(trans-b-6-bromo-3,4-dimethoxy-styrenesulfonyl)methane

SMILES: COc1cc(Br)c(\C=C\S(=O)(=O)CS(=O)(=O)\C=C\c2cc(OC)c(OC)cc2Br)cc1OC

InChI Key: InChIKey=AXAHRHMMURZTDE-KQQUZDAGSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50197638   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50197638
PNG
(CHEMBL225417 | bis(trans-b-6-bromo-3,4-dimethoxy-s...)
Show SMILES COc1cc(Br)c(\C=C\S(=O)(=O)CS(=O)(=O)\C=C\c2cc(OC)c(OC)cc2Br)cc1OC
Show InChI InChI=1S/C21H22Br2O8S2/c1-28-18-9-14(16(22)11-20(18)30-3)5-7-32(24,25)13-33(26,27)8-6-15-10-19(29-2)21(31-4)12-17(15)23/h5-12H,13H2,1-4H3/b7-5+,8-6+
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase-mediated integration activity


Bioorg Med Chem 15: 1127-37 (2006)


Article DOI: 10.1016/j.bmc.2006.10.017
BindingDB Entry DOI: 10.7270/Q2Q81CRP
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50197638
PNG
(CHEMBL225417 | bis(trans-b-6-bromo-3,4-dimethoxy-s...)
Show SMILES COc1cc(Br)c(\C=C\S(=O)(=O)CS(=O)(=O)\C=C\c2cc(OC)c(OC)cc2Br)cc1OC
Show InChI InChI=1S/C21H22Br2O8S2/c1-28-18-9-14(16(22)11-20(18)30-3)5-7-32(24,25)13-33(26,27)8-6-15-10-19(29-2)21(31-4)12-17(15)23/h5-12H,13H2,1-4H3/b7-5+,8-6+
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.50E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase-mediated 3'-processing activity


Bioorg Med Chem 15: 1127-37 (2006)


Article DOI: 10.1016/j.bmc.2006.10.017
BindingDB Entry DOI: 10.7270/Q2Q81CRP
More data for this
Ligand-Target Pair