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BDBM349635 2-(4-Chloro-2-fluorophenyl)-2-(1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidin-4-ylidene)acetonitrile::US10208016, Compound of Example 5::US10335402, Example 5

SMILES: Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1F

InChI Key: InChIKey=UHEABFFWWVYGMU-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 = 349635   
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))
BDBM349635
PNG
(2-(4-Chloro-2-fluorophenyl)-2-(1-((3,5-dimethyl-1H...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1F
Show InChI InChI=1S/C18H18ClFN4O2S/c1-11-18(12(2)23-22-11)27(25,26)24-7-5-13(6-8-24)16(10-21)15-4-3-14(19)9-17(15)20/h3-4,9H,5-8H2,1-2H3,(H,22,23)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 180n/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))
BDBM349635
PNG
(2-(4-Chloro-2-fluorophenyl)-2-(1-((3,5-dimethyl-1H...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1F
Show InChI InChI=1S/C18H18ClFN4O2S/c1-11-18(12(2)23-22-11)27(25,26)24-7-5-13(6-8-24)16(10-21)15-4-3-14(19)9-17(15)20/h3-4,9H,5-8H2,1-2H3,(H,22,23)
MMDB

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PC sid
UniChem
US Patent
n/an/a 180n/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))
BDBM349635
PNG
(2-(4-Chloro-2-fluorophenyl)-2-(1-((3,5-dimethyl-1H...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1F
Show InChI InChI=1S/C18H18ClFN4O2S/c1-11-18(12(2)23-22-11)27(25,26)24-7-5-13(6-8-24)16(10-21)15-4-3-14(19)9-17(15)20/h3-4,9H,5-8H2,1-2H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 180n/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