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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 = 'BDBM50514213'   
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))		BDBM50514213
PNG
(CHEMBL4463461 | US11274105, Example 37)
Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(N)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10|
Show InChI InChI=1S/C34H42ClN3O5/c1-37-15-4-3-7-29(42-2)26-11-8-23(26)19-38-20-33(14-5-6-22-16-25(35)10-12-27(22)33)21-43-30-13-9-24(17-28(30)38)34(41,32(36)40)18-31(37)39/h3,7,9-10,12-13,16-17,23,26,29,41H,4-6,8,11,14-15,18-21H2,1-2H3,(H2,36,40)/b7-3+/t23-,26+,29-,33-,34+/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 153n/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