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PubMed code 26286844

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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))		BDBM50121328
PNG
(CHEMBL3622090 | US10562882, Example 35)
Show SMILES CNc1cc(ccn1)C(=O)N1CCCC(F)(C1)c1ncc(Cl)cc1C
Show InChI InChI=1S/C18H20ClFN4O/c1-12-8-14(19)10-23-16(12)18(20)5-3-7-24(11-18)17(25)13-4-6-22-15(9-13)21-2/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,21,22)
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n/an/a 290n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in rat RBL2H3 cells assessed as inhibition of PK1-stimulated intracellular calcium release incubated for ...

ACS Med Chem Lett 6: 834-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00232
BindingDB Entry DOI: 10.7270/Q2BR8V0P
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))		BDBM50121324
PNG
(CHEMBL3622086 | US10562882, Example 3)
Show SMILES CC(C)n1c(nc2ccccc12)C1CCCN(C1)C(=O)c1ccnc(c1)N(C)C
Show InChI InChI=1S/C23H29N5O/c1-16(2)28-20-10-6-5-9-19(20)25-22(28)18-8-7-13-27(15-18)23(29)17-11-12-24-21(14-17)26(3)4/h5-6,9-12,14,16,18H,7-8,13,15H2,1-4H3
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PubMed
n/an/a 320n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in rat RBL2H3 cells assessed as inhibition of PK1-stimulated intracellular calcium release incubated for ...

ACS Med Chem Lett 6: 834-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00232
BindingDB Entry DOI: 10.7270/Q2BR8V0P
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))		BDBM50121325
PNG
(CHEMBL3622087 | US10562882, Example 15)
Show SMILES CCn1cc(cn1)C(=O)N1CCCC(C1)c1cc2ccccc2n1C(C)C
Show InChI InChI=1S/C22H28N4O/c1-4-25-15-19(13-23-25)22(27)24-11-7-9-18(14-24)21-12-17-8-5-6-10-20(17)26(21)16(2)3/h5-6,8,10,12-13,15-16,18H,4,7,9,11,14H2,1-3H3
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n/an/a 330n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in rat RBL2H3 cells assessed as inhibition of PK1-stimulated intracellular calcium release incubated for ...

ACS Med Chem Lett 6: 834-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00232
BindingDB Entry DOI: 10.7270/Q2BR8V0P
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))		BDBM50121327
PNG
(CHEMBL3622089 | US10562882, Example 27)
Show SMILES CCn1c(cc2cc(Cl)ccc12)C1CCCN(C1)C(=O)c1cn(C)nc1N
Show InChI InChI=1S/C20H24ClN5O/c1-3-26-17-7-6-15(21)9-14(17)10-18(26)13-5-4-8-25(11-13)20(27)16-12-24(2)23-19(16)22/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H2,22,23)
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n/an/a 910n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in rat RBL2H3 cells assessed as inhibition of PK1-stimulated intracellular calcium release incubated for ...

ACS Med Chem Lett 6: 834-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00232
BindingDB Entry DOI: 10.7270/Q2BR8V0P
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))		BDBM50121326
PNG
(CHEMBL3622088 | US10562882, Example 23)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)c1[nH]c2ccccc2c1C
Show InChI InChI=1S/C20H23N5O/c1-13-16-7-3-4-8-17(16)23-19(13)14-6-5-9-25(12-14)20(26)15-10-18(21-2)24-22-11-15/h3-4,7-8,10-11,14,23H,5-6,9,12H2,1-2H3,(H,21,24)
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n/an/a 7.41E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in rat RBL2H3 cells assessed as inhibition of PK1-stimulated intracellular calcium release incubated for ...

ACS Med Chem Lett 6: 834-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00232
BindingDB Entry DOI: 10.7270/Q2BR8V0P
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))		BDBM50121329
PNG
(CHEMBL3622091 | US10562882, Example 42)
Show SMILES COC1(CCCN(C1)C(=O)c1cn(C)nc1N)c1ncc(Cl)cc1C
Show InChI InChI=1S/C17H22ClN5O2/c1-11-7-12(18)8-20-14(11)17(25-3)5-4-6-23(10-17)16(24)13-9-22(2)21-15(13)19/h7-9H,4-6,10H2,1-3H3,(H2,19,21)
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n/an/a>9.00E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in rat RBL2H3 cells assessed as inhibition of PK1-stimulated intracellular calcium release incubated for ...

ACS Med Chem Lett 6: 834-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00232
BindingDB Entry DOI: 10.7270/Q2BR8V0P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%