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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50480460'   
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
Integrase


(Human immunodeficiency virus 1)		BDBM50480460
PNG
(CHEMBL540405)
Show SMILES COc1c2CCc3cc4cnn(-c5ccc(cc5)C(O)=O)c(=O)c4c(O)c3-c2c(O)c2C(=O)c3cc(O)c(C)c(O)c3C(=O)c12
Show InChI InChI=1S/C33H22N2O10/c1-12-19(36)10-18-23(26(12)37)30(41)25-24(27(18)38)29(40)22-17(31(25)45-2)8-5-14-9-15-11-34-35(32(42)21(15)28(39)20(14)22)16-6-3-13(4-7-16)33(43)44/h3-4,6-7,9-11,36-37,39-40H,5,8H2,1-2H3,(H,43,44)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.45E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase by electrochemiluminescent-based high-throughput strand transfer assay

Antimicrob Agents Chemother 52: 361-4 (2008)


Article DOI: 10.1128/aac.00883-07
BindingDB Entry DOI: 10.7270/Q2C2507R
More data for this
Ligand-Target Pair