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SMILES: COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C1CC1)C#N

InChI Key: InChIKey=YZFFTLDUCWKOOJ-INIZCTEOSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50502493   
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
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502493
PNG
(CHEMBL4558383 | US11834430, Compound 81)
Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C1CC1)C#N |r|
Show InChI InChI=1S/C23H23N3O3/c1-16(29-21-9-6-17(14-24)12-22(21)27-2)15-28-20-5-3-4-19(13-20)26-11-10-25-23(26)18-7-8-18/h3-6,9-13,16,18H,7-8,15H2,1-2H3/t16-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502493
PNG
(CHEMBL4558383 | US11834430, Compound 81)
Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C1CC1)C#N |r|
Show InChI InChI=1S/C23H23N3O3/c1-16(29-21-9-6-17(14-24)12-22(21)27-2)15-28-20-5-3-4-19(13-20)26-11-10-25-23(26)18-7-8-18/h3-6,9-13,16,18H,7-8,15H2,1-2H3/t16-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00300n/an/an/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...


ACS Med Chem Lett 10: 1024-1025 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00269
BindingDB Entry DOI: 10.7270/Q2FN19F4
More data for this
Ligand-Target Pair