BDBM161578 US9108983, Example 393

SMILES: Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cnc2n(C)ccc2c1

InChI Key: InChIKey=FVFKEJOBBSDJDK-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 = 161578   

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))	BDBM161578 (US9108983, Example 393) Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cnc2n(C)ccc2c1 Show InChI InChI=1S/C44H45ClN6O4/c1-29-39(44(54)51(34-11-13-37(52)14-12-34)36-24-31-16-18-47(2)42(31)46-27-36)26-41(48(29)3)40-25-33(45)10-15-38(40)43(53)50-28-32-8-5-4-7-30(32)23-35(50)9-6-17-49-19-21-55-22-20-49/h4-5,7-8,10-16,18,24-27,35,52H,6,9,17,19-23,28H2,1-3H3/t35-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	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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