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SMILES: COc1ccc(NC(=O)N(C)C[C@H]2Oc3c(NS(=O)(=O)c4ccc(F)cc4)cccc3C(=O)N(C[C@H]2C)[C@@H](C)C(O)=O)cc1

InChI Key: InChIKey=HVCRIVXMGFKCOE-UYXZNNOOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50041684   
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))		BDBM50041684
PNG
(CHEMBL3358896)
Show SMILES COc1ccc(NC(=O)N(C)C[C@H]2Oc3c(NS(=O)(=O)c4ccc(F)cc4)cccc3C(=O)N(C[C@H]2C)[C@@H](C)C(O)=O)cc1 |r|
Show InChI InChI=1S/C30H33FN4O8S/c1-18-16-35(19(2)29(37)38)28(36)24-6-5-7-25(33-44(40,41)23-14-8-20(31)9-15-23)27(24)43-26(18)17-34(3)30(39)32-21-10-12-22(42-4)13-11-21/h5-15,18-19,26,33H,16-17H2,1-4H3,(H,32,39)(H,37,38)/t18-,19+,26-/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a>5.00E+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