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SMILES: C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc3ccccc3c2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O

InChI Key: InChIKey=BTLGWHCRCMPTFW-HNMNOHOESA-N

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50041686   
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))		BDBM50041686
PNG
(CHEMBL3358898)
Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc3ccccc3c2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r|
Show InChI InChI=1S/C33H33FN4O7S/c1-20-18-38(21(2)32(40)41)31(39)27-9-6-10-28(36-46(43,44)26-15-12-24(34)13-16-26)30(27)45-29(20)19-37(3)33(42)35-25-14-11-22-7-4-5-8-23(22)17-25/h4-17,20-21,29,36H,18-19H2,1-3H3,(H,35,42)(H,40,41)/t20-,21+,29-/m1/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>2.50E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay

ACS Med Chem Lett 5: 1308-12 (2014)


Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP
More data for this
Ligand-Target Pair