BindingDB logo
myBDB logout

BDBM50231395 CHEMBL4097046

SMILES: [O-][N+](=O)c1ccc(COc2ccc(C[C@H](NC(=O)c3cn(Cc4ccc(cc4)-c4ccccc4)c4ccccc34)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)cc1

InChI Key: InChIKey=IEVSUBXTVWTMOW-FAIXQHPJSA-N

Data: 1 KI

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 = 50231395   
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))		BDBM50231395
PNG
(CHEMBL4097046)
Show SMILES [O-][N+](=O)c1ccc(COc2ccc(C[C@H](NC(=O)c3cn(Cc4ccc(cc4)-c4ccccc4)c4ccccc34)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)cc1 |r|
Show InChI InChI=1S/C44H34ClN5O9S/c45-39-23-22-36(25-42(39)50(55)56)60(57,58)47-44(52)40(24-29-14-20-35(21-15-29)59-28-31-12-18-34(19-13-31)49(53)54)46-43(51)38-27-48(41-9-5-4-8-37(38)41)26-30-10-16-33(17-11-30)32-6-2-1-3-7-32/h1-23,25,27,40H,24,26,28H2,(H,46,51)(H,47,52)/t40-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to Bcl2 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...

Bioorg Med Chem 25: 1939-1948 (2017)


BindingDB Entry DOI: 10.7270/Q2765HKK
More data for this
Ligand-Target Pair