Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50388984'   

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-like protein 1 (Homo sapiens (Human))	BDBM50388984 (CHEMBL2063884) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)-c1cn(nn1)-c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C55H64ClN11O7S2/c1-62(2)27-23-44(38-75-47-11-5-4-6-12-47)58-50-22-21-48(34-52(50)67(71)72)76(73,74)60-43-19-15-40(16-20-43)51-36-66(61-59-51)45-10-7-9-41(33-45)53-49(39-13-17-42(56)18-14-39)35-65(28-24-46(69)37-68)54(53)55(70)57-25-8-26-64-31-29-63(3)30-32-64/h4-7,9-22,33-36,44,46,58,60,68-69H,8,23-32,37-38H2,1-3H3,(H,57,70)/t44-,46+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...				J Med Chem 55: 4664-82 (2012) Article DOI: 10.1021/jm300178u BindingDB Entry DOI: 10.7270/Q2862HHV
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