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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50514198'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50514198
PNG
(CHEMBL4446955 | US11274105, Example 38)
Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10|
Show InChI InChI=1S/C36H46ClN3O5/c1-38(2)34(42)36(43)20-33(41)39(3)17-6-5-9-31(44-4)28-13-10-25(28)21-40-22-35(23-45-32-15-11-26(36)19-30(32)40)16-7-8-24-18-27(37)12-14-29(24)35/h5,9,11-12,14-15,18-19,25,28,31,43H,6-8,10,13,16-17,20-23H2,1-4H3/b9-5+/t25-,28+,31-,35-,36+/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...

J Med Chem 62: 10258-10271 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01310
BindingDB Entry DOI: 10.7270/Q2TQ64WW
More data for this
Ligand-Target Pair