BDBM50065792 (E)-3-(3,4-Dimethoxy-phenyl)-acrylic acid 2-methyl-quinolin-8-yl ester::CHEMBL432775

SMILES: COc1ccc(\C=C\C(=O)Oc2cccc3ccc(C)nc23)cc1OC

InChI Key: InChIKey=CPHKRMYYWIZKOQ-FMIVXFBMSA-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 = 50065792   

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)	BDBM50065792 ((E)-3-(3,4-Dimethoxy-phenyl)-acrylic acid 2-methyl...) Show SMILES COc1ccc(\C=C\C(=O)Oc2cccc3ccc(C)nc23)cc1OC Show InChI InChI=1S/C21H19NO4/c1-14-7-10-16-5-4-6-18(21(16)22-14)26-20(23)12-9-15-8-11-17(24-2)19(13-15)25-3/h4-13H,1-3H3/b12-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris-Sud Curated by ChEMBL					Assay Description In vitro anti-HIV integrase activity of the compound was tested against integration(strand transfer) of target plasmid.				J Med Chem 41: 2846-57 (1998) Article DOI: 10.1021/jm980043e BindingDB Entry DOI: 10.7270/Q21Z43JH
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50065792 ((E)-3-(3,4-Dimethoxy-phenyl)-acrylic acid 2-methyl...) Show SMILES COc1ccc(\C=C\C(=O)Oc2cccc3ccc(C)nc23)cc1OC Show InChI InChI=1S/C21H19NO4/c1-14-7-10-16-5-4-6-18(21(16)22-14)26-20(23)12-9-15-8-11-17(24-2)19(13-15)25-3/h4-13H,1-3H3/b12-9+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3' processing activity				Eur J Med Chem 43: 81-92 (2008) Article DOI: 10.1016/j.ejmech.2007.02.021 BindingDB Entry DOI: 10.7270/Q24170XZ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50065792 ((E)-3-(3,4-Dimethoxy-phenyl)-acrylic acid 2-methyl...) Show SMILES COc1ccc(\C=C\C(=O)Oc2cccc3ccc(C)nc23)cc1OC Show InChI InChI=1S/C21H19NO4/c1-14-7-10-16-5-4-6-18(21(16)22-14)26-20(23)12-9-15-8-11-17(24-2)19(13-15)25-3/h4-13H,1-3H3/b12-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris-Sud Curated by ChEMBL					Assay Description HIV integrase inhibitory potency of the compound was evaluated as IC50 on 3' processing of target DNA.				J Med Chem 41: 2846-57 (1998) Article DOI: 10.1021/jm980043e BindingDB Entry DOI: 10.7270/Q21Z43JH
					More data for this Ligand-Target Pair