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BDBM50176882 CHEMBL3814890

SMILES: COc1cc(O)c(C(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(OC)c1OC

InChI Key: InChIKey=IBPLPHCCXLFAPI-RMKNXTFCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50176882   
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))		BDBM50176882
PNG
(CHEMBL3814890)
Show SMILES COc1cc(O)c(C(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C19H17F3O5/c1-25-15-10-14(24)16(18(27-3)17(15)26-2)13(23)9-6-11-4-7-12(8-5-11)19(20,21)22/h4-10,24H,1-3H3/b9-6+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...

J Med Chem 59: 4152-70 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair