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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prokineticin receptor 1' and Ligand = 'BDBM250522'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250522
PNG
(US10167273, Example 1 | US10544126, Example 1 | US...)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H21Cl2N3O3S/c1-11-17(12(2)21(3)20-11)26(23,24)22-8-6-13(7-9-22)25-14-4-5-15(18)16(19)10-14/h4-5,10,13H,6-9H2,1-3H3
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+3n/an/an/an/a7.437



Takeda Pharmaceutical Company Limited

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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250522
PNG
(US10167273, Example 1 | US10544126, Example 1 | US...)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H21Cl2N3O3S/c1-11-17(12(2)21(3)20-11)26(23,24)22-8-6-13(7-9-22)25-14-4-5-15(18)16(19)10-14/h4-5,10,13H,6-9H2,1-3H3
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CV4NKN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250522
PNG
(US10167273, Example 1 | US10544126, Example 1 | US...)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H21Cl2N3O3S/c1-11-17(12(2)21(3)20-11)26(23,24)22-8-6-13(7-9-22)25-14-4-5-15(18)16(19)10-14/h4-5,10,13H,6-9H2,1-3H3
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+3n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

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 US10544126 (2020)


BindingDB Entry DOI: 10.7270/Q2MP55NK
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250522
PNG
(US10167273, Example 1 | US10544126, Example 1 | US...)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H21Cl2N3O3S/c1-11-17(12(2)21(3)20-11)26(23,24)22-8-6-13(7-9-22)25-14-4-5-15(18)16(19)10-14/h4-5,10,13H,6-9H2,1-3H3
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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 US10167273 (2019)


BindingDB Entry DOI: 10.7270/Q24F1ST0
More data for this
Ligand-Target Pair