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BDBM50206523 CHEMBL3953936

SMILES: Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1

InChI Key: InChIKey=DTDBRBULFYWZFF-NGVUCAHMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50206523   
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))		BDBM50206523
PNG
(CHEMBL3953936)
Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
Show InChI InChI=1S/C49H47ClN4O10S/c1-31-9-14-35(15-10-31)36-17-21-39(22-18-36)63-40-27-45(53(29-40)48(57)64-49(2,3)4)47(56)51-43(46(55)52-65(60,61)41-23-24-42(50)44(28-41)54(58)59)26-32-12-19-38(20-13-32)62-30-33-11-16-34-7-5-6-8-37(34)25-33/h5-25,28,40,43,45H,26-27,29-30H2,1-4H3,(H,51,56)(H,52,55)/t40-,43-,45-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 500n/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