BDBM354582 5-{2-[2-(2H-1,3-Benzodioxol-5-yl)acetyl]-6-[(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-2,3-dihydro-1H-isoindol-5-yl}-N-(4-hydroxyphenyl)-N,1,2-trimethyl-1H-pyrrole-3-carboxamide::US9809574, Example 172

SMILES: C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(Cc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Cc1ccc2OCOc2c1

InChI Key: InChIKey=NEWSNSFSMPDANQ-RUZDIDTESA-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 = 354582   

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))	BDBM354582 (5-{2-[2-(2H-1,3-Benzodioxol-5-yl)acetyl]-6-[(3R)-3...) Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(Cc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C42H40N4O6/c1-25-15-28-7-5-6-8-29(28)23-46(25)42(50)36-19-31-22-45(40(48)17-27-9-14-38-39(16-27)52-24-51-38)21-30(31)18-35(36)37-20-34(26(2)43(37)3)41(49)44(4)32-10-12-33(47)13-11-32/h5-14,16,18-20,25,47H,15,17,21-24H2,1-4H3/t25-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	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 US9809574 (2017) BindingDB Entry DOI: 10.7270/Q2MP55DF
					More data for this Ligand-Target Pair