Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50184346'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrase (Human immunodeficiency virus 1)	BDBM50184346 ((Z)-4-[6-((Z)-3-ethoxycarbonyl-3-hydroxy-acryloyl)...) Show SMILES CCOC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(=O)OCC)c(=O)c2c1 Show InChI InChI=1S/C28H24FNO9/c1-3-38-27(36)24(33)12-22(31)17-7-10-21-19(11-17)26(35)20(23(32)13-25(34)28(37)39-4-2)15-30(21)14-16-5-8-18(29)9-6-16/h5-11,15H,3-4,12-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MnCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184346 ((Z)-4-[6-((Z)-3-ethoxycarbonyl-3-hydroxy-acryloyl)...) Show SMILES CCOC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(=O)OCC)c(=O)c2c1 Show InChI InChI=1S/C28H24FNO9/c1-3-38-27(36)24(33)12-22(31)17-7-10-21-19(11-17)26(35)20(23(32)13-25(34)28(37)39-4-2)15-30(21)14-16-5-8-18(29)9-6-16/h5-11,15H,3-4,12-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by gel-based assay				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184346 ((Z)-4-[6-((Z)-3-ethoxycarbonyl-3-hydroxy-acryloyl)...) Show SMILES CCOC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(=O)OCC)c(=O)c2c1 Show InChI InChI=1S/C28H24FNO9/c1-3-38-27(36)24(33)12-22(31)17-7-10-21-19(11-17)26(35)20(23(32)13-25(34)28(37)39-4-2)15-30(21)14-16-5-8-18(29)9-6-16/h5-11,15H,3-4,12-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by plate-based electrochemiluminescent assay				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184346 ((Z)-4-[6-((Z)-3-ethoxycarbonyl-3-hydroxy-acryloyl)...) Show SMILES CCOC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(=O)OCC)c(=O)c2c1 Show InChI InChI=1S/C28H24FNO9/c1-3-38-27(36)24(33)12-22(31)17-7-10-21-19(11-17)26(35)20(23(32)13-25(34)28(37)39-4-2)15-30(21)14-16-5-8-18(29)9-6-16/h5-11,15H,3-4,12-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-processing activity in presence of MgCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184346 ((Z)-4-[6-((Z)-3-ethoxycarbonyl-3-hydroxy-acryloyl)...) Show SMILES CCOC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(=O)OCC)c(=O)c2c1 Show InChI InChI=1S/C28H24FNO9/c1-3-38-27(36)24(33)12-22(31)17-7-10-21-19(11-17)26(35)20(23(32)13-25(34)28(37)39-4-2)15-30(21)14-16-5-8-18(29)9-6-16/h5-11,15H,3-4,12-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-processing activity in presence of MnCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair