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BDBM50514225 CHEMBL4452437

SMILES: [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)OC)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1

InChI Key: InChIKey=SLUUZAKLJSZISA-UJURJSCKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514225   
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))
BDBM50514225
PNG
(CHEMBL4452437)
Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)OC)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10|
Show InChI InChI=1S/C35H43ClN2O6/c1-37-16-5-4-8-30(42-2)27-12-9-24(27)20-38-21-34(15-6-7-23-17-26(36)11-13-28(23)34)22-44-31-14-10-25(18-29(31)38)35(41,19-32(37)39)33(40)43-3/h4,8,10-11,13-14,17-18,24,27,30,41H,5-7,9,12,15-16,19-22H2,1-3H3/b8-4+/t24-,27+,30-,34-,35+/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/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
More data for this
Ligand-Target Pair