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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50527156'   
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)		BDBM50527156
PNG
(CHEMBL4551451)
Show SMILES Cc1ccc(Nc2c(C(OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2ccccc2)cc1
Show InChI InChI=1S/C26H28N4O3/c1-16-11-13-19(14-12-16)28-24-22(23(25(31)32)33-26(3,4)5)17(2)27-21-15-20(29-30(21)24)18-9-7-6-8-10-18/h6-15,23,28H,1-5H3,(H,31,32)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...

J Med Chem 63: 2620-2637 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01681
BindingDB Entry DOI: 10.7270/Q28G8Q4F
More data for this
Ligand-Target Pair