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BDBM349648 4-((2,4-Dichlorophenyl)fluoromethylene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine::US10208016, Compound of Example 18::US10335402, Example 18

SMILES: Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=LYHMQCQUGJIVRF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 349648   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM349648
PNG
(4-((2,4-Dichlorophenyl)fluoromethylene)-1-((3,5-di...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H18Cl2FN3O2S/c1-10-17(11(2)22-21-10)26(24,25)23-7-5-12(6-8-23)16(20)14-4-3-13(18)9-15(14)19/h3-4,9H,5-8H2,1-2H3,(H,21,22)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 260n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10208016 (2019)


BindingDB Entry DOI: 10.7270/Q21838NN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM349648
PNG
(4-((2,4-Dichlorophenyl)fluoromethylene)-1-((3,5-di...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H18Cl2FN3O2S/c1-10-17(11(2)22-21-10)26(24,25)23-7-5-12(6-8-23)16(20)14-4-3-13(18)9-15(14)19/h3-4,9H,5-8H2,1-2H3,(H,21,22)
MMDB

NCI pathway
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 260n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10335402 (2019)


BindingDB Entry DOI: 10.7270/Q2DV1N7B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM349648
PNG
(4-((2,4-Dichlorophenyl)fluoromethylene)-1-((3,5-di...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H18Cl2FN3O2S/c1-10-17(11(2)22-21-10)26(24,25)23-7-5-12(6-8-23)16(20)14-4-3-13(18)9-15(14)19/h3-4,9H,5-8H2,1-2H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 260n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10308635 (2019)


BindingDB Entry DOI: 10.7270/Q2DF6TJ6
More data for this
Ligand-Target Pair