Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50527154'   

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)	BDBM50527154 (CHEMBL4454255) Show SMILES Cc1nc2cc(nn2c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)-c1ccccc1 |r,wD:22.26,(14.1,-46.79,;12.76,-46.03,;11.43,-46.8,;10.09,-46.03,;8.63,-46.5,;7.72,-45.25,;8.63,-44.02,;10.09,-44.49,;11.42,-43.71,;11.41,-42.18,;12.75,-41.41,;12.74,-39.87,;14.07,-39.09,;11.4,-39.11,;11.39,-37.57,;10.05,-36.8,;8.72,-37.58,;8.72,-39.13,;10.07,-39.89,;10.08,-41.42,;8.75,-42.2,;12.76,-44.48,;14.09,-43.7,;14.08,-42.16,;15.41,-41.39,;15.41,-39.85,;16.75,-42.15,;16.74,-40.6,;15.43,-44.47,;16.76,-43.69,;15.43,-46.01,;6.18,-45.26,;5.42,-43.92,;3.88,-43.92,;3.1,-45.25,;3.88,-46.59,;5.42,-46.59,)| Show InChI InChI=1S/C29H30FN3O4/c1-16-19-12-9-13-36-26(19)21(30)14-20(16)25-24(27(28(34)35)37-29(3,4)5)17(2)31-23-15-22(32-33(23)25)18-10-7-6-8-11-18/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,34,35)/t27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark c...				J Med Chem 63: 2620-2637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01681 BindingDB Entry DOI: 10.7270/Q28G8Q4F
					More data for this Ligand-Target Pair				3D Structure (crystal)