BindingDB logo
myBDB logout

BDBM50206542 CHEMBL3952094

SMILES: COc1ccc(cc1)-c1ccc(COc2ccc(C[C@H](NC(=O)[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)Oc3ccc(cc3)-c3ccc(Cl)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)cc1

InChI Key: InChIKey=CYODDAOZSJZZTH-SUDWSMIUSA-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 = 50206542   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50206542
PNG
(CHEMBL3952094)
Show SMILES COc1ccc(cc1)-c1ccc(COc2ccc(C[C@H](NC(=O)[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)Oc3ccc(cc3)-c3ccc(Cl)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)cc1 |r|
Show InChI InChI=1S/C51H48Cl2N4O11S/c1-51(2,3)68-50(60)56-30-42(67-41-23-15-37(16-24-41)35-11-17-38(52)18-12-35)28-47(56)49(59)54-45(48(58)55-69(63,64)43-25-26-44(53)46(29-43)57(61)62)27-32-7-19-40(20-8-32)66-31-33-5-9-34(10-6-33)36-13-21-39(65-4)22-14-36/h5-26,29,42,45,47H,27-28,30-31H2,1-4H3,(H,54,59)(H,55,58)/t42-,45-,47-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 480n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...

Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair