Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50407724'   

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)	BDBM50407724 (CHEMBL2029094) Show SMILES O[C@@H]1O[C@@H](Oc2c(O)cc(O)c3c2oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H18O13/c21-6-2-1-5(3-7(6)22)16-13(27)11(25)10-8(23)4-9(24)17(18(10)31-16)32-20-15(29)12(26)14(28)19(30)33-20/h1-4,12,14-15,19-24,26-30H/t12-,14-,15+,19+,20+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50407724 (CHEMBL2029094) Show SMILES O[C@@H]1O[C@@H](Oc2c(O)cc(O)c3c2oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H18O13/c21-6-2-1-5(3-7(6)22)16-13(27)11(25)10-8(23)4-9(24)17(18(10)31-16)32-20-15(29)12(26)14(28)19(30)33-20/h1-4,12,14-15,19-24,26-30H/t12-,14-,15+,19+,20+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair