BDBM161639 US9108983, Example 459

SMILES: CCn1c(C)c(cc1C#N)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1

InChI Key: InChIKey=CCGGHHKBSYOUJA-UMSFTDKQSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 161639   

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))	BDBM161639 (US9108983, Example 459) Show SMILES CCn1c(C)c(cc1C#N)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1 Show InChI InChI=1S/C42H43ClN6O4/c1-5-47-28(3)39(22-33(47)24-44)49(32-11-13-35(50)14-12-32)42(52)37-23-40(45(4)27(37)2)38-21-31(43)10-15-36(38)41(51)48-25-30-9-7-6-8-29(30)20-34(48)26-46-16-18-53-19-17-46/h6-15,21-23,34,50H,5,16-20,25-26H2,1-4H3/t34-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.5	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