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SMILES: [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2cccc(c2)S(=O)(=O)NC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1

InChI Key:

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 = 50581180   
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50581180
PNG
(CHEMBL5081214)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2cccc(c2)S(=O)(=O)NC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1 |r,wU:7.7,wD:25.25,(36.66,-8.55,;35.33,-9.33,;33.99,-8.57,;32.66,-9.34,;31.32,-8.58,;32.68,-10.87,;31.35,-11.65,;30.01,-10.88,;30,-9.34,;28.67,-8.58,;27.34,-9.35,;28.66,-7.04,;27.33,-6.28,;27.32,-4.75,;28.65,-3.96,;29.99,-4.73,;29.99,-6.27,;31.31,-3.95,;32.85,-3.95,;32.08,-5.28,;31.32,-2.42,;32.65,-1.64,;33.98,-2.41,;33.99,-3.95,;35.31,-1.63,;36.65,-2.4,;36.65,-3.95,;37.98,-4.71,;39.31,-3.94,;39.31,-2.4,;37.98,-1.63,;38.68,-3.13,;37.19,-3.37,;32.64,-.1,;33.98,.68,;33.98,2.22,;32.64,2.99,;31.31,2.2,;31.32,.68,;28.68,-11.66,;28.68,-13.21,;27.35,-13.98,;26.01,-13.21,;24.68,-13.98,;23.34,-13.21,;22.01,-13.98,;23.35,-11.67,;26.01,-11.67,;24.68,-10.9,;24.68,-9.36,;23.35,-8.59,;22.58,-7.26,;21.81,-8.59,;27.34,-10.9,;34.01,-11.65,;34.01,-13.19,;35.34,-10.87,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00204
BindingDB Entry DOI: 10.7270/Q2DN48WC
More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50581180
PNG
(CHEMBL5081214)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2cccc(c2)S(=O)(=O)NC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1 |r,wU:7.7,wD:25.25,(36.66,-8.55,;35.33,-9.33,;33.99,-8.57,;32.66,-9.34,;31.32,-8.58,;32.68,-10.87,;31.35,-11.65,;30.01,-10.88,;30,-9.34,;28.67,-8.58,;27.34,-9.35,;28.66,-7.04,;27.33,-6.28,;27.32,-4.75,;28.65,-3.96,;29.99,-4.73,;29.99,-6.27,;31.31,-3.95,;32.85,-3.95,;32.08,-5.28,;31.32,-2.42,;32.65,-1.64,;33.98,-2.41,;33.99,-3.95,;35.31,-1.63,;36.65,-2.4,;36.65,-3.95,;37.98,-4.71,;39.31,-3.94,;39.31,-2.4,;37.98,-1.63,;38.68,-3.13,;37.19,-3.37,;32.64,-.1,;33.98,.68,;33.98,2.22,;32.64,2.99,;31.31,2.2,;31.32,.68,;28.68,-11.66,;28.68,-13.21,;27.35,-13.98,;26.01,-13.21,;24.68,-13.98,;23.34,-13.21,;22.01,-13.98,;23.35,-11.67,;26.01,-11.67,;24.68,-10.9,;24.68,-9.36,;23.35,-8.59,;22.58,-7.26,;21.81,-8.59,;27.34,-10.9,;34.01,-11.65,;34.01,-13.19,;35.34,-10.87,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE4 in human U-937 cells assessed as reduction in cAMP level by LANCE cAMP Assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00204
BindingDB Entry DOI: 10.7270/Q2DN48WC
More data for this
Ligand-Target Pair