BDBM161600 US9108983, Example 417

SMILES: COc1ccc(-c2cc(C(=O)N(c3cc(C#N)n(C)c3C)c3ccc(O)cc3)c(C)n2C)c(c1)C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1

InChI Key: InChIKey=HIMDTPSTDUWZRB-XIFFEERXSA-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 = 161600   

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 (Homo sapiens (Human))	BDBM161600 (US9108983, Example 417) Show SMILES COc1ccc(-c2cc(C(=O)N(c3cc(C#N)n(C)c3C)c3ccc(O)cc3)c(C)n2C)c(c1)C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1 Show InChI InChI=1S/C42H44N6O5/c1-27-37(42(51)48(31-10-12-34(49)13-11-31)39-21-32(24-43)44(3)28(39)2)23-40(45(27)4)36-15-14-35(52-5)22-38(36)41(50)47-25-30-9-7-6-8-29(30)20-33(47)26-46-16-18-53-19-17-46/h6-15,21-23,33,49H,16-20,25-26H2,1-5H3/t33-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	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, labelled (histag-Bcl-2 such that Bcl-2 correspond...				US Patent US9108983 (2015) BindingDB Entry DOI: 10.7270/Q2PC314Z
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