BDBM50545172 CHEMBL4644631

SMILES: CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCN3CCN(CCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)N4CCN(C)CC4)CC3)[nH]c2c1

InChI Key: InChIKey=GLGOCBROLJWJMN-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 = 50545172   

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)	BDBM50545172 (CHEMBL4644631) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCN3CCN(CCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)N4CCN(C)CC4)CC3)[nH]c2c1 Show InChI InChI=1S/C50H60N16O2/c1-61-15-23-65(24-16-61)35-5-9-39-43(29-35)59-49(57-39)33-3-7-37-41(27-33)55-45(53-37)31-51-47(67)11-13-63-19-21-64(22-20-63)14-12-48(68)52-32-46-54-38-8-4-34(28-42(38)56-46)50-58-40-10-6-36(30-44(40)60-50)66-25-17-62(2)18-26-66/h3-10,27-30H,11-26,31-32H2,1-2H3,(H,51,67)(H,52,68)(H,53,55)(H,54,56)(H,57,59)(H,58,60)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7.00E+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)
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