BDBM50479408 CHEMBL495970

SMILES: CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2cccc(F)c2)c2cccc(OC)c12

InChI Key: InChIKey=HLBHMUUNXSMTGA-ODLFYWEKSA-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 = 50479408   

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)	BDBM50479408 (CHEMBL495970) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2cccc(F)c2)c2cccc(OC)c12 Show InChI InChI=1S/C22H20FNO5/c1-3-29-22(27)19(26)11-18(25)16-13-24(12-14-6-4-7-15(23)10-14)17-8-5-9-20(28-2)21(16)17/h4-11,13,26H,3,12H2,1-2H3/b19-11-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase activity by ELISA				J Med Chem 52: 569-73 (2009) Article DOI: 10.1021/jm8009266 BindingDB Entry DOI: 10.7270/Q2NV9N29
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479408 (CHEMBL495970) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2cccc(F)c2)c2cccc(OC)c12 Show InChI InChI=1S/C22H20FNO5/c1-3-29-22(27)19(26)11-18(25)16-13-24(12-14-6-4-7-15(23)10-14)17-8-5-9-20(28-2)21(16)17/h4-11,13,26H,3,12H2,1-2H3/b19-11-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity by ELISA				J Med Chem 52: 569-73 (2009) Article DOI: 10.1021/jm8009266 BindingDB Entry DOI: 10.7270/Q2NV9N29
					More data for this Ligand-Target Pair