Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 3' and Ligand = 'BDBM50279274'   

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 3 (Homo sapiens (Human))	BDBM50279274 (CHEMBL4172268) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCNC(=O)c2cccc(c2)-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 |r| Show InChI InChI=1S/C50H57F3N8O8S/c1-32(54-2)46(63)60-44(33-9-4-3-5-10-33)49(65)61-21-8-15-42(61)48-59-41(30-70-48)45(62)35-12-7-14-39(28-35)68-26-25-67-24-23-66-22-20-55-47(64)36-13-6-11-34(27-36)40-29-43(57-31-56-40)58-37-16-18-38(19-17-37)69-50(51,52)53/h6-7,11-14,16-19,27-33,42,44,54H,3-5,8-10,15,20-26H2,1-2H3,(H,55,64)(H,60,63)(H,56,57,58)/t32-,42-,44-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged cIAP2 (Gln238 to Ser349 residues) expressed in Escherichia coli by TR-FRET assay				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
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