Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50021261'   

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)	BDBM50021261 (CHEMBL3287925) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc(Cl)cc2)c1C |r| Show InChI InChI=1S/C30H31ClN2O4/c1-16-24(20-12-14-23(31)15-13-20)26(28(29(34)35)36-30(5,6)7)17(2)32-27(16)22-10-8-21(9-11-22)25-18(3)33-37-19(25)4/h8-15,28H,1-7H3,(H,34,35)/t28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Curated by ChEMBL					Assay Description Apparent binding affinity to Trx-His-tagged HIV integrase				ACS Med Chem Lett 5: 711-6 (2014) Article DOI: 10.1021/ml500110j BindingDB Entry DOI: 10.7270/Q2PG1T8J
					More data for this Ligand-Target Pair