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BDBM103917 US8562945, 253

SMILES: CN1C=C[N]2=C1C[N]1(CCCCCC(=O)NCC(=O)N3CCCC3B(O)O)CC3=[N](C=CN3C)[Re+]21

InChI Key: InChIKey=KJEUSBKNEOQYKP-UHFFFAOYSA-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 = 103917   
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
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM103917
PNG
(US8562945, 253)
Show SMILES CN1C=C[N]2=C1C[N]1(CCCCCC(=O)NCC(=O)N3CCCC3B(O)O)CC3=[N](C=CN3C)[Re+]21
Show InChI InChI=1S/C22H36BN7O4.Re/c1-27-13-9-24-19(27)16-29(17-20-25-10-14-28(20)2)11-5-3-4-8-21(31)26-15-22(32)30-12-6-7-18(30)23(33)34;/h9-10,13-14,18,33-34H,3-8,11-12,15-17H2,1-2H3,(H,26,31);/q;+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.24E+4n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were tested for their ability to inhibit DPPIV enzyme.


US Patent US8562945 (2013)


BindingDB Entry DOI: 10.7270/Q2XP73KD
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM103917
PNG
(US8562945, 253)
Show SMILES CN1C=C[N]2=C1C[N]1(CCCCCC(=O)NCC(=O)N3CCCC3B(O)O)CC3=[N](C=CN3C)[Re+]21
Show InChI InChI=1S/C22H36BN7O4.Re/c1-27-13-9-24-19(27)16-29(17-20-25-10-14-28(20)2)11-5-3-4-8-21(31)26-15-22(32)30-12-6-7-18(30)23(33)34;/h9-10,13-14,18,33-34H,3-8,11-12,15-17H2,1-2H3,(H,26,31);/q;+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 20n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were tested for their ability to inhibit separase enzyme.


US Patent US8562945 (2013)


BindingDB Entry DOI: 10.7270/Q2XP73KD
More data for this
Ligand-Target Pair