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BDBM50496833 CHEMBL3218390

SMILES: CC(C)C[C@H](NC(=O)N1CCN(Cc2[nH]cnc2C)C(=O)[C@@H]1Cc1ccccc1)C(O)=O

InChI Key: InChIKey=COLCNDRDBCLVOC-ICSRJNTNSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50496833   
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
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50496833
PNG
(CHEMBL3218390)
Show SMILES CC(C)C[C@H](NC(=O)N1CCN(Cc2[nH]cnc2C)C(=O)[C@@H]1Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C23H31N5O4/c1-15(2)11-18(22(30)31)26-23(32)28-10-9-27(13-19-16(3)24-14-25-19)21(29)20(28)12-17-7-5-4-6-8-17/h4-8,14-15,18,20H,9-13H2,1-3H3,(H,24,25)(H,26,32)(H,30,31)/t18-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human GGTase1 in human Burkitt lymphoma (Daudi) cell supernatant using [3H]geranylgeranyl


Medchemcomm 4: 476-492 (2013)


Article DOI: 10.1039/c2md20299a
BindingDB Entry DOI: 10.7270/Q2HD7ZN5
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50496833
PNG
(CHEMBL3218390)
Show SMILES CC(C)C[C@H](NC(=O)N1CCN(Cc2[nH]cnc2C)C(=O)[C@@H]1Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C23H31N5O4/c1-15(2)11-18(22(30)31)26-23(32)28-10-9-27(13-19-16(3)24-14-25-19)21(29)20(28)12-17-7-5-4-6-8-17/h4-8,14-15,18,20H,9-13H2,1-3H3,(H,24,25)(H,26,32)(H,30,31)/t18-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FTase using [3H]farnesyldiphosphate


Medchemcomm 4: 476-492 (2013)


Article DOI: 10.1039/c2md20299a
BindingDB Entry DOI: 10.7270/Q2HD7ZN5
More data for this
Ligand-Target Pair