BDBM50056903 CHEMBL172418::NSC-338683::ethyl 2-[3-(5-ethyloxycarbonyl-4-hydroxy-2-pyrimidinylamino)propylamino]-4-hydroxy-5-pyrimidinecarboxylate

SMILES: CCOC(=O)c1cnc(NCCCNc2ncc(C(=O)OCC)c(=O)[nH]2)[nH]c1=O

InChI Key: InChIKey=YJJPGRNCMKXWFF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50056903   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrase (Human immunodeficiency virus type 1)	BDBM50056903 (ethyl 2-[3-(5-ethyloxycarbonyl-4-hydroxy-2-pyrimid...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM50056903 (ethyl 2-[3-(5-ethyloxycarbonyl-4-hydroxy-2-pyrimid...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM50056903 (ethyl 2-[3-(5-ethyloxycarbonyl-4-hydroxy-2-pyrimid...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM50056903 (ethyl 2-[3-(5-ethyloxycarbonyl-4-hydroxy-2-pyrimid...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair