BindingDB logo
myBDB logout

BDBM50499404 CHEMBL3736270

SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=NACVVPTYWKYBMV-APGVRMINSA-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 = 50499404   
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))		BDBM50499404
PNG
(CHEMBL3736270)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C37H37ClN4O10S/c1-37(2,3)52-36(46)41-22-28(51-27-15-11-25(12-16-27)24-7-5-4-6-8-24)20-33(41)35(45)39-31(19-23-9-13-26(43)14-10-23)34(44)40-53(49,50)29-17-18-30(38)32(21-29)42(47)48/h4-18,21,28,31,33,43H,19-20,22H2,1-3H3,(H,39,45)(H,40,44)/t28-,31-,33-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.20E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Competitive binding affinity to Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 peptide preincubated for 30 mins before 5-FAM-Bid-BH3 peptide addition and...

Bioorg Med Chem 23: 7685-93 (2015)


Article DOI: 10.1016/j.bmc.2015.11.014
BindingDB Entry DOI: 10.7270/Q2445QG3
More data for this
Ligand-Target Pair