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BDBM349643 4-(1-(4-Chlorophenypethylidene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine::US10208016, Compound of Example 13::US10335402, Example 13

SMILES: CC(=C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1

InChI Key: InChIKey=AIRJRZFTFLCUKL-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 = 349643   
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))
BDBM349643
PNG
(4-(1-(4-Chlorophenypethylidene)-1-((3,5-dimethyl-1...)
Show SMILES CC(=C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H22ClN3O2S/c1-12(15-4-6-17(19)7-5-15)16-8-10-22(11-9-16)25(23,24)18-13(2)20-21-14(18)3/h4-7H,8-11H2,1-3H3,(H,20,21)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 760n/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))
BDBM349643
PNG
(4-(1-(4-Chlorophenypethylidene)-1-((3,5-dimethyl-1...)
Show SMILES CC(=C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H22ClN3O2S/c1-12(15-4-6-17(19)7-5-15)16-8-10-22(11-9-16)25(23,24)18-13(2)20-21-14(18)3/h4-7H,8-11H2,1-3H3,(H,20,21)
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 760n/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))
BDBM349643
PNG
(4-(1-(4-Chlorophenypethylidene)-1-((3,5-dimethyl-1...)
Show SMILES CC(=C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H22ClN3O2S/c1-12(15-4-6-17(19)7-5-15)16-8-10-22(11-9-16)25(23,24)18-13(2)20-21-14(18)3/h4-7H,8-11H2,1-3H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 760n/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