BDBM50176119 (Z)-4-[1-(4-Fluoro-benzyl)-5-methoxy-1H-indol-3-yl]-2-hydroxy-4-oxo-but-2-enoic acid ethyl ester::CHEMBL372325

SMILES: CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OC)cc12

InChI Key: InChIKey=HOBATAXKYGUVTJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50176119   

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)	BDBM50176119 ((Z)-4-[1-(4-Fluoro-benzyl)-5-methoxy-1H-indol-3-yl...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C22H20FNO5/c1-3-29-22(27)21(26)11-20(25)18-13-24(12-14-4-6-15(23)7-5-14)19-9-8-16(28-2)10-17(18)19/h4-10,13H,3,11-12H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50176119 ((Z)-4-[1-(4-Fluoro-benzyl)-5-methoxy-1H-indol-3-yl...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C22H20FNO5/c1-3-29-22(27)21(26)11-20(25)18-13-24(12-14-4-6-15(23)7-5-14)19-9-8-16(28-2)10-17(18)19/h4-10,13H,3,11-12H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50176119 ((Z)-4-[1-(4-Fluoro-benzyl)-5-methoxy-1H-indol-3-yl...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C22H20FNO5/c1-3-29-22(27)21(26)11-20(25)18-13-24(12-14-4-6-15(23)7-5-14)19-9-8-16(28-2)10-17(18)19/h4-10,13H,3,11-12H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase 3' strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair