BindingDB logo
myBDB logout

null

SMILES: COc1cc(-c2cc(C(=O)N(c3cc(C#N)n(C)c3C)c3ccc(O)cc3)c(C)n2C)c(cc1F)C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1

InChI Key: InChIKey=OADTWJRGYXOZHZ-YTTGMZPUSA-N

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 = 161612   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM161612
PNG
(US9108983, Example 429)
Show SMILES COc1cc(-c2cc(C(=O)N(c3cc(C#N)n(C)c3C)c3ccc(O)cc3)c(C)n2C)c(cc1F)C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1
Show InChI InChI=1S/C42H43FN6O5/c1-26-34(42(52)49(30-10-12-33(50)13-11-30)38-19-31(23-44)45(3)27(38)2)21-39(46(26)4)35-22-40(53-5)37(43)20-36(35)41(51)48-24-29-9-7-6-8-28(29)18-32(48)25-47-14-16-54-17-15-47/h6-13,19-22,32,50H,14-18,24-25H2,1-5H3/t32-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3.10n/an/an/an/a7.4n/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