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SMILES: CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl

InChI Key: InChIKey=YJHPFQHKOBNEJT-UHFFFAOYSA-N

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 4 hits for monomerid = 250549   
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))
BDBM250549
PNG
(US10167273, Example 28 | US10544126, Example 28 | ...)
Show SMILES CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H25Cl2N3O3S/c1-4-16-19(17(5-2)23(3)22-16)28(25,26)24-10-8-14(9-11-24)27-18-7-6-13(20)12-15(18)21/h6-7,12,14H,4-5,8-11H2,1-3H3
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 320n/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))
BDBM250549
PNG
(US10167273, Example 28 | US10544126, Example 28 | ...)
Show SMILES CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H25Cl2N3O3S/c1-4-16-19(17(5-2)23(3)22-16)28(25,26)24-10-8-14(9-11-24)27-18-7-6-13(20)12-15(18)21/h6-7,12,14H,4-5,8-11H2,1-3H3
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 320n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM250549
PNG
(US10167273, Example 28 | US10544126, Example 28 | ...)
Show SMILES CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H25Cl2N3O3S/c1-4-16-19(17(5-2)23(3)22-16)28(25,26)24-10-8-14(9-11-24)27-18-7-6-13(20)12-15(18)21/h6-7,12,14H,4-5,8-11H2,1-3H3
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 320n/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))
BDBM250549
PNG
(US10167273, Example 28 | US10544126, Example 28 | ...)
Show SMILES CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H25Cl2N3O3S/c1-4-16-19(17(5-2)23(3)22-16)28(25,26)24-10-8-14(9-11-24)27-18-7-6-13(20)12-15(18)21/h6-7,12,14H,4-5,8-11H2,1-3H3
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 320n/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