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BDBM50011012 CHEMBL3259901

SMILES: Cc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(O)=O)c(C)nc2c1

InChI Key: InChIKey=UTHVPWUPYFPHRB-NRFANRHFSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011012   
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)
BDBM50011012
PNG
(CHEMBL3259901)
Show SMILES Cc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(O)=O)c(C)nc2c1 |r|
Show InChI InChI=1S/C23H24ClNO3/c1-13-6-11-17-18(12-13)25-14(2)19(21(22(26)27)28-23(3,4)5)20(17)15-7-9-16(24)10-8-15/h6-12,21H,1-5H3,(H,26,27)/t21-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 40n/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