BDBM50527159 CHEMBL4560817

SMILES: CC(C)(C)OC(C(O)=O)c1ccccc1-c1ccccc1

InChI Key: InChIKey=VPIYSKBTEUAMDW-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50527159   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Integrase (Human immunodeficiency virus 1)	BDBM50527159 (CHEMBL4560817) Show SMILES CC(C)(C)OC(C(O)=O)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C18H20O3/c1-18(2,3)21-16(17(19)20)15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-12,16H,1-3H3,(H,19,20)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
					More data for this Ligand-Target Pair