Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50184347'   

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)	BDBM50184347 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-4-oxo-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2ncc(C(=O)CC(=O)C(O)=O)c(O)c2c1 Show InChI InChI=1S/C17H11NO9/c19-11(4-13(21)16(24)25)7-1-2-10-8(3-7)15(23)9(6-18-10)12(20)5-14(22)17(26)27/h1-3,6H,4-5H2,(H,18,23)(H,24,25)(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	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)	BDBM50184347 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-4-oxo-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2ncc(C(=O)CC(=O)C(O)=O)c(O)c2c1 Show InChI InChI=1S/C17H11NO9/c19-11(4-13(21)16(24)25)7-1-2-10-8(3-7)15(23)9(6-18-10)12(20)5-14(22)17(26)27/h1-3,6H,4-5H2,(H,18,23)(H,24,25)(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	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)	BDBM50184347 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-4-oxo-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2ncc(C(=O)CC(=O)C(O)=O)c(O)c2c1 Show InChI InChI=1S/C17H11NO9/c19-11(4-13(21)16(24)25)7-1-2-10-8(3-7)15(23)9(6-18-10)12(20)5-14(22)17(26)27/h1-3,6H,4-5H2,(H,18,23)(H,24,25)(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.10E+3	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
Integrase (Human immunodeficiency virus 1)	BDBM50184347 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-4-oxo-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2ncc(C(=O)CC(=O)C(O)=O)c(O)c2c1 Show InChI InChI=1S/C17H11NO9/c19-11(4-13(21)16(24)25)7-1-2-10-8(3-7)15(23)9(6-18-10)12(20)5-14(22)17(26)27/h1-3,6H,4-5H2,(H,18,23)(H,24,25)(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	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)	BDBM50184347 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-4-oxo-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2ncc(C(=O)CC(=O)C(O)=O)c(O)c2c1 Show InChI InChI=1S/C17H11NO9/c19-11(4-13(21)16(24)25)7-1-2-10-8(3-7)15(23)9(6-18-10)12(20)5-14(22)17(26)27/h1-3,6H,4-5H2,(H,18,23)(H,24,25)(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+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