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/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrase (Human immunodeficiency virus 1)	BDBM50056903 (CHEMBL172418 | NSC-338683 | ethyl 2-[3-(5-ethyloxy...) Show SMILES CCOC(=O)c1cnc(NCCCNc2ncc(C(=O)OCC)c(=O)[nH]2)[nH]c1=O Show InChI InChI=1S/C17H22N6O6/c1-3-28-14(26)10-8-20-16(22-12(10)24)18-6-5-7-19-17-21-9-11(13(25)23-17)15(27)29-4-2/h8-9H,3-7H2,1-2H3,(H2,18,20,22,24)(H2,19,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056903 (CHEMBL172418 | NSC-338683 | ethyl 2-[3-(5-ethyloxy...) Show SMILES CCOC(=O)c1cnc(NCCCNc2ncc(C(=O)OCC)c(=O)[nH]2)[nH]c1=O Show InChI InChI=1S/C17H22N6O6/c1-3-28-14(26)10-8-20-16(22-12(10)24)18-6-5-7-19-17-21-9-11(13(25)23-17)15(27)29-4-2/h8-9H,3-7H2,1-2H3,(H2,18,20,22,24)(H2,19,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056903 (CHEMBL172418 | NSC-338683 | ethyl 2-[3-(5-ethyloxy...) Show SMILES CCOC(=O)c1cnc(NCCCNc2ncc(C(=O)OCC)c(=O)[nH]2)[nH]c1=O Show InChI InChI=1S/C17H22N6O6/c1-3-28-14(26)10-8-20-16(22-12(10)24)18-6-5-7-19-17-21-9-11(13(25)23-17)15(27)29-4-2/h8-9H,3-7H2,1-2H3,(H2,18,20,22,24)(H2,19,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056903 (CHEMBL172418 | NSC-338683 | ethyl 2-[3-(5-ethyloxy...) Show SMILES CCOC(=O)c1cnc(NCCCNc2ncc(C(=O)OCC)c(=O)[nH]2)[nH]c1=O Show InChI InChI=1S/C17H22N6O6/c1-3-28-14(26)10-8-20-16(22-12(10)24)18-6-5-7-19-17-21-9-11(13(25)23-17)15(27)29-4-2/h8-9H,3-7H2,1-2H3,(H2,18,20,22,24)(H2,19,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
					More data for this Ligand-Target Pair