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BDBM250590 US10167273, Example 69::US10544126, Example 69::US9475795, 69

SMILES: Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)c(Cl)c2)CC1

InChI Key: InChIKey=YFBCBQGTAZLNKK-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 = 250590   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250590
PNG
(US10167273, Example 69 | US10544126, Example 69 | ...)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C18H23Cl2N3O3S/c1-12-17(13(2)22(3)21-12)27(25,26)23-8-6-18(24,7-9-23)11-14-4-5-15(19)16(20)10-14/h4-5,10,24H,6-9,11H2,1-3H3
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.47E+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))
BDBM250590
PNG
(US10167273, Example 69 | US10544126, Example 69 | ...)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C18H23Cl2N3O3S/c1-12-17(13(2)22(3)21-12)27(25,26)23-8-6-18(24,7-9-23)11-14-4-5-15(19)16(20)10-14/h4-5,10,24H,6-9,11H2,1-3H3
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.47E+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))
BDBM250590
PNG
(US10167273, Example 69 | US10544126, Example 69 | ...)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C18H23Cl2N3O3S/c1-12-17(13(2)22(3)21-12)27(25,26)23-8-6-18(24,7-9-23)11-14-4-5-15(19)16(20)10-14/h4-5,10,24H,6-9,11H2,1-3H3
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.47E+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