BDBM50545173 CHEMBL4645067

SMILES: CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCCN3CCN(CCCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)N4CCN(C)CC4)CC3)[nH]c2c1

InChI Key: InChIKey=ZTFVQKUVPUDIEP-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 = 50545173   

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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50545173 (CHEMBL4645067) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCCN3CCN(CCCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)N4CCN(C)CC4)CC3)[nH]c2c1 Show InChI InChI=1S/C52H64N16O2/c1-63-17-25-67(26-18-63)37-9-13-41-45(31-37)61-51(59-41)35-7-11-39-43(29-35)57-47(55-39)33-53-49(69)5-3-15-65-21-23-66(24-22-65)16-4-6-50(70)54-34-48-56-40-12-8-36(30-44(40)58-48)52-60-42-14-10-38(32-46(42)62-52)68-27-19-64(2)20-28-68/h7-14,29-32H,3-6,15-28,33-34H2,1-2H3,(H,53,69)(H,54,70)(H,55,57)(H,56,58)(H,59,61)(H,60,62)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair