BDBM161596 US9108983, Example 412

SMILES: Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n(C)c1C)c1ccc(O)cc1

InChI Key: InChIKey=BHPDSBYODBGVNZ-UUWRZZSWSA-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 = 161596   

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))	BDBM161596 (US9108983, Example 412) Show SMILES Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n(C)c1C)c1ccc(O)cc1 Show InChI InChI=1S/C43H45ClN6O4/c1-28-38(43(53)50(33-12-14-36(51)15-13-33)40-24-35(26-45)46(3)29(40)2)25-41(47(28)4)39-23-32(44)11-16-37(39)42(52)49-27-31-9-6-5-8-30(31)22-34(49)10-7-17-48-18-20-54-21-19-48/h5-6,8-9,11-16,23-25,34,51H,7,10,17-22,27H2,1-4H3/t34-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	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
					More data for this Ligand-Target Pair