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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 integrase' and Ligand = 'BDBM50011011'   
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)
BDBM50011011
PNG
(CHEMBL3259900)
Show SMILES Cc1nc2cc(Cl)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H21Cl2NO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-7-14(23)8-6-13)16-10-9-15(24)11-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)/t20-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 140n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 integrase by displacement assay


ACS Med Chem Lett 5: 422-7 (2014)


Article DOI: 10.1021/ml500002n
BindingDB Entry DOI: 10.7270/Q2K64KMK
More data for this
Ligand-Target Pair