BDBM50508828 CHEMBL4454444

SMILES: CC(C)(C)OC(C(O)=O)c1c(nc(-c2cccc(F)c2)c2ccccc12)-c1ccc2OCCCc2c1

InChI Key: InChIKey=BAHVZSLMBUFLRR-UHFFFAOYSA-N

Data: 1 IC50

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 = 50508828   

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)	BDBM50508828 (CHEMBL4454444) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2cccc(F)c2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C30H28FNO4/c1-30(2,3)36-28(29(33)34)25-22-11-4-5-12-23(22)26(19-8-6-10-21(31)17-19)32-27(25)20-13-14-24-18(16-20)9-7-15-35-24/h4-6,8,10-14,16-17,28H,7,9,15H2,1-3H3,(H,33,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633
					More data for this Ligand-Target Pair