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BDBM349929 5-((2S,4R)-2-(4-chlorobenzyl)-4-methoxy-[1,4′-bipiperidin]-1′-yl)-4H-1,2,4-triazol-3-amine ::US10208020, Example 19

SMILES: CO[C@@H]1CCN(C(Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1nnc(N)[nH]1

InChI Key: InChIKey=CKGIHYVZWVUSHR-QRWMCTBCSA-N

Data: 2 IC50

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 = 349929   
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
Chitinase 1


(Homo sapiens (Human))
BDBM349929
PNG
(5-((2S,4R)-2-(4-chlorobenzyl)-4-methoxy-[1,4′...)
Show SMILES CO[C@@H]1CCN(C(Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1S/C20H29ClN6O/c1-28-18-8-11-27(17(13-18)12-14-2-4-15(21)5-3-14)16-6-9-26(10-7-16)20-23-19(22)24-25-20/h2-5,16-18H,6-13H2,1H3,(H3,22,23,24,25)/t17?,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



OncoArendi Therapeutics S.A.

US Patent


Assay Description
An enzymatic assay with recombinant human CHIT1 was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). Th...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM349929
PNG
(5-((2S,4R)-2-(4-chlorobenzyl)-4-methoxy-[1,4′...)
Show SMILES CO[C@@H]1CCN(C(Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1nnc(N)[nH]1
Show InChI InChI=1S/C20H29ClN6O/c1-28-18-8-11-27(17(13-18)12-14-2-4-15(21)5-3-14)16-6-9-26(10-7-16)20-23-19(22)24-25-20/h2-5,16-18H,6-13H2,1H3,(H3,22,23,24,25)/t17?,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



OncoArendi Therapeutics S.A.

US Patent


Assay Description
An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...


US Patent US10208020 (2019)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair