BDBM161641 US9108983, Example 461

SMILES: Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n(C)c1C)c1ccccc1

InChI Key: InChIKey=IPGRZGOLDIOZIQ-PGUFJCEWSA-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 = 161641   

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))	BDBM161641 (US9108983, Example 461) Show SMILES Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n(C)c1C)c1ccccc1 Show InChI InChI=1S/C43H45ClN6O3/c1-29-38(43(52)50(34-13-6-5-7-14-34)40-25-36(27-45)46(3)30(40)2)26-41(47(29)4)39-24-33(44)16-17-37(39)42(51)49-28-32-12-9-8-11-31(32)23-35(49)15-10-18-48-19-21-53-22-20-48/h5-9,11-14,16-17,24-26,35H,10,15,18-23,28H2,1-4H3/t35-/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
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