Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50495448'   

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))	BDBM50495448 (CHEMBL3108825) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)NC(=O)CCCCCCCCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI InChI=1S/C62H92N10O8/c1-39(63-3)57(75)67-53(41-23-11-9-12-24-41)61(79)71-35-21-31-49(71)59(77)69-55-45-29-19-17-27-43(45)37-47(55)65-51(73)33-15-7-5-6-8-16-34-52(74)66-48-38-44-28-18-20-30-46(44)56(48)70-60(78)50-32-22-36-72(50)62(80)54(42-25-13-10-14-26-42)68-58(76)40(2)64-4/h17-20,27-30,39-42,47-50,53-56,63-64H,5-16,21-26,31-38H2,1-4H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,53-,54-,55-,56-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA				J Med Chem 56: 9897-919 (2013) Article DOI: 10.1021/jm401075x BindingDB Entry DOI: 10.7270/Q23T9M6C
					More data for this Ligand-Target Pair