BDBM50493203 CHEMBL2417573

SMILES: O=C(Nc1ccccn1)c1nc[nH]c1C(=O)N1CCNCC1

InChI Key: InChIKey=PVAZONKQKQMMRA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50493203   

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)	BDBM50493203 (CHEMBL2417573) Show SMILES O=C(Nc1ccccn1)c1nc[nH]c1C(=O)N1CCNCC1 Show InChI InChI=1S/C14H16N6O2/c21-13(19-10-3-1-2-4-16-10)11-12(18-9-17-11)14(22)20-7-5-15-6-8-20/h1-4,9,15H,5-8H2,(H,17,18)(H,16,19,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged HIV-1 integrase 3' processing activity				Bioorg Med Chem 21: 5963-72 (2013) Article DOI: 10.1016/j.bmc.2013.07.047 BindingDB Entry DOI: 10.7270/Q2057JVT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50493203 (CHEMBL2417573) Show SMILES O=C(Nc1ccccn1)c1nc[nH]c1C(=O)N1CCNCC1 Show InChI InChI=1S/C14H16N6O2/c21-13(19-10-3-1-2-4-16-10)11-12(18-9-17-11)14(22)20-7-5-15-6-8-20/h1-4,9,15H,5-8H2,(H,17,18)(H,16,19,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged HIV-1 integrase 3' strand transfer activity				Bioorg Med Chem 21: 5963-72 (2013) Article DOI: 10.1016/j.bmc.2013.07.047 BindingDB Entry DOI: 10.7270/Q2057JVT
					More data for this Ligand-Target Pair