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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50197638   
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
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

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

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