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SMILES: CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C[C@H]3C(=C)CO[C@@]3(O)[C@H]3O[C@@]123

InChI Key: InChIKey=MMGJJGNQFININV-OPYLLRRUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50316814   
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))		BDBM50316814
PNG
(CHEMBL1097104 | cryptosphaerolide)
Show SMILES CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C[C@H]3C(=C)CO[C@@]3(O)[C@H]3O[C@@]123 |r|
Show InChI InChI=1S/C26H42O7/c1-7-15(2)10-16(3)11-24(29,14-27)22(28)32-20-9-8-18(5)23(6)12-19-17(4)13-31-26(19,30)21-25(20,23)33-21/h15-16,18-21,27,29-30H,4,7-14H2,1-3,5-6H3/t15?,16?,18-,19-,20+,21-,23+,24?,25+,26+/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibition of Mcl1 protein by Mcl1/Bak fluorescence resonance assay

J Nat Prod 73: 998-1001 (2010)


Article DOI: 10.1021/np1000889
BindingDB Entry DOI: 10.7270/Q2RR1ZCX
More data for this
Ligand-Target Pair