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BDBM50301651 CHEMBL568370::trans-3'-oxo-N-(5-phenylpyrimidin-2-yl)-3'H-spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-4-carboxamide::trans-3-Oxo-N-(5-phenylpyrimidin-2-yl)-3H-spiro[5-aza-2-benzofuran-1,1'-cyclohexane]-4'-carboxamide

SMILES: O=C(Nc1ncc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1cnccc21

InChI Key: InChIKey=IXLKQHQGZBXVPB-QXONSOMPSA-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 = 50301651   
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
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50301651
PNG
(CHEMBL568370 | trans-3'-oxo-N-(5-phenylpyrimidin-2...)
Show SMILES O=C(Nc1ncc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1cnccc21 |r,wU:18.23,wD:15.16,(26.14,-22.21,;26.91,-23.55,;28.45,-23.55,;29.28,-24.84,;28.58,-26.21,;29.41,-27.5,;30.95,-27.43,;31.65,-26.05,;30.81,-24.76,;31.79,-28.72,;31.08,-30.09,;31.92,-31.38,;33.46,-31.3,;34.16,-29.92,;33.32,-28.63,;26.13,-24.88,;24.59,-24.88,;23.82,-26.21,;24.59,-27.54,;26.13,-27.54,;26.9,-26.21,;25.51,-28.8,;24.6,-30.05,;25.08,-31.52,;23.13,-29.58,;21.79,-30.35,;20.46,-29.58,;20.46,-28.03,;21.79,-27.26,;23.12,-28.02,)|
Show InChI InChI=1S/C23H20N4O3/c28-20(27-22-25-12-17(13-26-22)15-4-2-1-3-5-15)16-6-9-23(10-7-16)19-8-11-24-14-18(19)21(29)30-23/h1-5,8,11-14,16H,6-7,9-10H2,(H,25,26,27,28)/t16-,23-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPY Y5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 19: 5436-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.103
BindingDB Entry DOI: 10.7270/Q27D2V6Q
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50301651
PNG
(CHEMBL568370 | trans-3'-oxo-N-(5-phenylpyrimidin-2...)
Show SMILES O=C(Nc1ncc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1cnccc21 |r,wU:18.23,wD:15.16,(26.14,-22.21,;26.91,-23.55,;28.45,-23.55,;29.28,-24.84,;28.58,-26.21,;29.41,-27.5,;30.95,-27.43,;31.65,-26.05,;30.81,-24.76,;31.79,-28.72,;31.08,-30.09,;31.92,-31.38,;33.46,-31.3,;34.16,-29.92,;33.32,-28.63,;26.13,-24.88,;24.59,-24.88,;23.82,-26.21,;24.59,-27.54,;26.13,-27.54,;26.9,-26.21,;25.51,-28.8,;24.6,-30.05,;25.08,-31.52,;23.13,-29.58,;21.79,-30.35,;20.46,-29.58,;20.46,-28.03,;21.79,-27.26,;23.12,-28.02,)|
Show InChI InChI=1S/C23H20N4O3/c28-20(27-22-25-12-17(13-26-22)15-4-2-1-3-5-15)16-6-9-23(10-7-16)19-8-11-24-14-18(19)21(29)30-23/h1-5,8,11-14,16H,6-7,9-10H2,(H,25,26,27,28)/t16-,23-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant Y5 receptor


Bioorg Med Chem 17: 6971-82 (2009)


Article DOI: 10.1016/j.bmc.2009.08.019
BindingDB Entry DOI: 10.7270/Q2P26Z62
More data for this
Ligand-Target Pair