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BDBM50499416 CHEMBL3735669

SMILES: Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Oc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=WDPPIULNYFKXCG-XLDNGHKCSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50499416   
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))		BDBM50499416
PNG
(CHEMBL3735669)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C38H40BrN3O7S/c1-25-10-20-32(21-11-25)50(46,47)41-35(43)33(22-26-12-16-29(39)17-13-26)40-36(44)34-23-31(24-42(34)37(45)49-38(2,3)4)48-30-18-14-28(15-19-30)27-8-6-5-7-9-27/h5-21,31,33-34H,22-24H2,1-4H3,(H,40,44)(H,41,43)/t31-,33-,34-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 990n/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