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BDBM349631 4-(4-Chloro-3-fluorobenzyl)-1-((3-cyclopropyl-5-methyl-1H-pyrazol-4-yl) sulfonyl)piperidine::US10208016, Compound of Example 1::US10335402, Example 1

SMILES: Cc1[nH]nc(C2CC2)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)c(F)c2)CC1

InChI Key: InChIKey=AYMIBMGURKMJHT-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 = 349631   
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))
BDBM349631
PNG
(4-(4-Chloro-3-fluorobenzyl)-1-((3-cyclopropyl-5-me...)
Show SMILES Cc1[nH]nc(C2CC2)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C19H23ClFN3O2S/c1-12-19(18(23-22-12)15-3-4-15)27(25,26)24-8-6-13(7-9-24)10-14-2-5-16(20)17(21)11-14/h2,5,11,13,15H,3-4,6-10H2,1H3,(H,22,23)
PDB
MMDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.37E+3n/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))
BDBM349631
PNG
(4-(4-Chloro-3-fluorobenzyl)-1-((3-cyclopropyl-5-me...)
Show SMILES Cc1[nH]nc(C2CC2)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C19H23ClFN3O2S/c1-12-19(18(23-22-12)15-3-4-15)27(25,26)24-8-6-13(7-9-24)10-14-2-5-16(20)17(21)11-14/h2,5,11,13,15H,3-4,6-10H2,1H3,(H,22,23)
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.37E+3n/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))
BDBM349631
PNG
(4-(4-Chloro-3-fluorobenzyl)-1-((3-cyclopropyl-5-me...)
Show SMILES Cc1[nH]nc(C2CC2)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C19H23ClFN3O2S/c1-12-19(18(23-22-12)15-3-4-15)27(25,26)24-8-6-13(7-9-24)10-14-2-5-16(20)17(21)11-14/h2,5,11,13,15H,3-4,6-10H2,1H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.37E+3n/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