Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1' and Ligand = 'BDBM51858'   

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
Bcl-2-related protein A1 (Mus musculus (Mouse))	BDBM51858 (MLS000562887 | SMR000391146 | YW-IW | cid_16196440) Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C59H74N18O6.ClH/c1-4-27-81-29-31-83-32-30-82-28-18-62-57-65-58(67-59(66-57)75-25-21-73(22-26-75)56(80)53(37-45-35-43-11-7-9-13-49(43)64-45)77-39-51(69-71-77)54(61)40(3)5-2)74-23-19-72(20-24-74)55(79)52(36-44-34-42-10-6-8-12-48(42)63-44)76-38-50(68-70-76)47(60)33-41-14-16-46(78)17-15-41;/h1,6-17,34-35,38-40,47,52-54,63-64,78H,5,18-33,36-37,60-61H2,2-3H3,(H,62,65,66,67);1H/t40?,47-,52-,53-,54-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25D8Q92
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