Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50279271'   

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))	BDBM50279271 (CHEMBL4168907) Show SMILES CN[C@@H](C)C(=O)N(C)[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCNC(=O)C2CCN(C2)c2ncc(cc2-c2ccn[nH]2)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)c1 |r| Show InChI InChI=1S/C54H65ClF2N10O9S/c1-34(58-2)52(71)65(3)46(35-9-5-4-6-10-35)53(72)67-22-8-13-45(67)51-63-44(33-77-51)47(68)36-11-7-12-41(29-36)75-28-27-74-26-25-73-24-21-59-49(69)37-19-23-66(32-37)48-42(43-18-20-61-64-43)30-38(31-60-48)50(70)62-39-14-16-40(17-15-39)76-54(55,56)57/h7,11-12,14-18,20,29-31,33-35,37,45-46,58H,4-6,8-10,13,19,21-28,32H2,1-3H3,(H,59,69)(H,61,64)(H,62,70)/t34-,37?,45-,46-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral viral infection of MT-4 cells				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
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