BDBM177795 US9120791, Example 13

SMILES: CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3CCCCn23)CC1

InChI Key: InChIKey=GRIOZMZDFYXBBZ-BHVANESWSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 177795   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Apoptosis regulator Bcl-2 (Mus musculus (Mouse))	BDBM177795 (US9120791, Example 13) Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3CCCCn23)CC1 Show InChI InChI=1S/C47H48N6O5/c1-48-19-21-50(22-20-48)29-36-23-31-7-3-4-8-33(31)28-52(36)46(55)39-27-45-44(57-30-58-45)26-38(39)43-25-40(42-9-5-6-17-51(42)43)47(56)53(34-10-13-37(54)14-11-34)35-12-15-41-32(24-35)16-18-49(41)2/h3-4,7-8,10-16,18,24-27,36,54H,5-6,9,17,19-23,28-30H2,1-2H3/t36-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	n/a
LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD US Patent					Assay Description The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...				US Patent US9120791 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZWC
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