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BDBM349639 2-(1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-ylidene)-2-(4-(trifluoromethoxy)phenypacetonitrile::US10208016, Compound of Example 9::US10335402, Example 9

SMILES: Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=KRQZAVUNAGZXQM-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 = 349639   
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))
BDBM349639
PNG
(2-(1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piper...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N4O3S/c1-12-18(13(2)25-24-12)30(27,28)26-9-7-15(8-10-26)17(11-23)14-3-5-16(6-4-14)29-19(20,21)22/h3-6H,7-10H2,1-2H3,(H,24,25)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 150n/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))
BDBM349639
PNG
(2-(1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piper...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N4O3S/c1-12-18(13(2)25-24-12)30(27,28)26-9-7-15(8-10-26)17(11-23)14-3-5-16(6-4-14)29-19(20,21)22/h3-6H,7-10H2,1-2H3,(H,24,25)
MMDB

NCI pathway
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 150n/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))
BDBM349639
PNG
(2-(1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piper...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N4O3S/c1-12-18(13(2)25-24-12)30(27,28)26-9-7-15(8-10-26)17(11-23)14-3-5-16(6-4-14)29-19(20,21)22/h3-6H,7-10H2,1-2H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/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