Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50450048'   

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
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450048 (CHEMBL4177336) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cc(=O)n(Cc4ccc(F)cc4)cc23)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H42FN5O3/c1-20-12-33(25(11-32-20)14-35-21(2)17-39-18-22(35)3)16-29(38)36-19-30(4,5)26-10-28(37)34(15-27(26)36)13-23-6-8-24(31)9-7-23/h6-10,15,20-22,25,32H,11-14,16-19H2,1-5H3/t20-,21-,22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
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