BindingDB logo
myBDB logout

BDBM349637 2-(4-Chlorophenyl)-2-(1-((1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl) sulfonyl)piperidin-4-ylidene)acetonitrile::US10208016, Compound of Example 7::US10335402, Example 7

SMILES: [#6]-c1c(c(nn1-[#6])C(F)(F)F)S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\C#N)-c1ccc(Cl)cc1

InChI Key: InChIKey=ORLKIYKAPSAHTN-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 = 349637   
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))
BDBM349637
PNG
(2-(4-Chlorophenyl)-2-(1-((1,5-dimethyl-3-(trifluor...)
Show SMILES Cc1c(c(nn1C)C(F)(F)F)S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClF3N4O2S/c1-12-17(18(19(21,22)23)25-26(12)2)30(28,29)27-9-7-14(8-10-27)16(11-24)13-3-5-15(20)6-4-13/h3-6H,7-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/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))
BDBM349637
PNG
(2-(4-Chlorophenyl)-2-(1-((1,5-dimethyl-3-(trifluor...)
Show SMILES Cc1c(c(nn1C)C(F)(F)F)S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClF3N4O2S/c1-12-17(18(19(21,22)23)25-26(12)2)30(28,29)27-9-7-14(8-10-27)16(11-24)13-3-5-15(20)6-4-13/h3-6H,7-10H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/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))
BDBM349637
PNG
(2-(4-Chlorophenyl)-2-(1-((1,5-dimethyl-3-(trifluor...)
Show SMILES Cc1c(c(nn1C)C(F)(F)F)S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClF3N4O2S/c1-12-17(18(19(21,22)23)25-26(12)2)30(28,29)27-9-7-14(8-10-27)16(11-24)13-3-5-15(20)6-4-13/h3-6H,7-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/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