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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with Target = 'Prokineticin Receptor 1 (PKR1)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 (PKR1)


(Homo sapiens (human))
BDBM26335
PNG
(3-[2-({5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphen...)
Show SMILES CCc1ccc(Cn2c(=O)nc(NCCN=C(N)N)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C23H29N7O3/c1-3-16-4-6-17(7-5-16)15-30-22(31)28-21(27-13-12-26-20(24)25)29(23(30)32)14-18-8-10-19(33-2)11-9-18/h4-11H,3,12-15H2,1-2H3,(H4,24,25,26)(H,27,28,31)
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PubMed
22 -45.5n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM26336
PNG
(6-[(2-aminoethyl)amino]-3-[(4-ethylphenyl)methyl]-...)
Show SMILES CCc1ccc(Cn2c(=O)nc(NCCN)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C22H27N5O3/c1-3-16-4-6-17(7-5-16)15-27-21(28)25-20(24-13-12-23)26(22(27)29)14-18-8-10-19(30-2)11-9-18/h4-11H,3,12-15,23H2,1-2H3,(H,24,25,28)
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440 -37.7n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM26337
PNG
(6-{[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]ami...)
Show SMILES CCc1ccc(Cn2c(=O)nc(NCCN=C3NCCN3)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C25H31N7O3/c1-3-18-4-6-19(7-5-18)17-32-24(33)30-23(29-15-14-28-22-26-12-13-27-22)31(25(32)34)16-20-8-10-21(35-2)11-9-20/h4-11H,3,12-17H2,1-2H3,(H2,26,27,28)(H,29,30,33)
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4.72E+3 -31.6n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294596
PNG
(1-(2-(5-(4-chlorobenzyl)-1-(4-methoxybenzyl)-4,6-d...)
Show SMILES COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(Cl)cc3)c2=O)cc1
Show InChI InChI=1S/C21H24ClN7O3/c1-32-17-8-4-15(5-9-17)12-28-19(26-11-10-25-18(23)24)27-20(30)29(21(28)31)13-14-2-6-16(22)7-3-14/h2-9H,10-13H2,1H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294589
PNG
(1-(2-(1,5-bis(4-methoxybenzyl)-4,6-dioxo-1,4,5,6-t...)
Show SMILES COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C22H27N7O4/c1-32-17-7-3-15(4-8-17)13-28-20(26-12-11-25-19(23)24)27-21(30)29(22(28)31)14-16-5-9-18(33-2)10-6-16/h3-10H,11-14H2,1-2H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 21n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294586
PNG
(1-(2-(5-(3,4-dichlorobenzyl)-1-(4-methoxybenzyl)-4...)
Show SMILES COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1
Show InChI InChI=1S/C21H23Cl2N7O3/c1-33-15-5-2-13(3-6-15)11-29-19(27-9-8-26-18(24)25)28-20(31)30(21(29)32)12-14-4-7-16(22)17(23)10-14/h2-7,10H,8-9,11-12H2,1H3,(H4,24,25,26)(H,27,28,31)
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n/an/a 22n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294601
PNG
(1-(2-(1-(4-hydroxybenzyl)-5-(4-methoxybenzyl)-4,6-...)
Show SMILES COc1ccc(Cn2c(=O)nc(NCCN=C(N)N)n(Cc3ccc(O)cc3)c2=O)cc1
Show InChI InChI=1S/C21H25N7O4/c1-32-17-8-4-15(5-9-17)13-28-20(30)26-19(25-11-10-24-18(22)23)27(21(28)31)12-14-2-6-16(29)7-3-14/h2-9,29H,10-13H2,1H3,(H4,22,23,24)(H,25,26,30)
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n/an/a 27n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294585
PNG
(1-(2-(5-(4-fluorobenzyl)-1-(4-methoxybenzyl)-4,6-d...)
Show SMILES COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1
Show InChI InChI=1S/C21H24FN7O3/c1-32-17-8-4-15(5-9-17)12-28-19(26-11-10-25-18(23)24)27-20(30)29(21(28)31)13-14-2-6-16(22)7-3-14/h2-9H,10-13H2,1H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 33n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294604
PNG
(1-(2-(5-(3,4-dichlorobenzyl)-1-(4-(difluoromethoxy...)
Show SMILES NC(N)=NCCNc1nc(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H21Cl2F2N7O3/c22-15-6-3-13(9-16(15)23)11-32-20(33)30-19(29-8-7-28-18(26)27)31(21(32)34)10-12-1-4-14(5-2-12)35-17(24)25/h1-6,9,17H,7-8,10-11H2,(H4,26,27,28)(H,29,30,33)
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n/an/a 47n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294603
PNG
(1-(2-(5-(4-methoxybenzyl)-1-((6-methoxypyridin-3-y...)
Show SMILES COc1ccc(Cn2c(=O)nc(NCCN=C(N)N)n(Cc3ccc(OC)nc3)c2=O)cc1
Show InChI InChI=1S/C21H26N8O4/c1-32-16-6-3-14(4-7-16)12-29-20(30)27-19(25-10-9-24-18(22)23)28(21(29)31)13-15-5-8-17(33-2)26-11-15/h3-8,11H,9-10,12-13H2,1-2H3,(H4,22,23,24)(H,25,27,30)
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n/an/a 51n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50121328
PNG
(CHEMBL3622090)
Show SMILES CNc1cc(ccn1)C(=O)N1CCCC(F)(C1)c1ncc(Cl)cc1C
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294592
PNG
(1-(2-(5-(4-cyanobenzyl)-1-(4-methoxybenzyl)-4,6-di...)
Show SMILES COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(cc3)C#N)c2=O)cc1
Show InChI InChI=1S/C22H24N8O3/c1-33-18-8-6-17(7-9-18)13-29-20(27-11-10-26-19(24)25)28-21(31)30(22(29)32)14-16-4-2-15(12-23)3-5-16/h2-9H,10-11,13-14H2,1H3,(H4,24,25,26)(H,27,28,31)
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n/an/a 318n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50121324
PNG
(CHEMBL3622086)
Show SMILES CC(C)n1c(nc2ccccc12)C1CCCN(C1)C(=O)c1ccnc(c1)N(C)C
Show InChI InChI=1/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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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)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50121325
PNG
(CHEMBL3622087)
Show SMILES CCn1cc(cn1)C(=O)N1CCCC(C1)c1cc2ccccc2n1C(C)C
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294606
PNG
(1-(2-(5-benzyl-1-(4-methoxybenzyl)-4,6-dioxo-1,4,5...)
Show SMILES COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C21H25N7O3/c1-31-17-9-7-16(8-10-17)13-27-19(25-12-11-24-18(22)23)26-20(29)28(21(27)30)14-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H4,22,23,24)(H,25,26,29)
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n/an/a 336n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294591
PNG
(1-(2-(1-(4-methoxybenzyl)-5-(4-methoxyphenethyl)-4...)
Show SMILES COc1ccc(CCn2c(=O)nc(NCCN=C(N)N)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C23H29N7O4/c1-33-18-7-3-16(4-8-18)11-14-29-22(31)28-21(27-13-12-26-20(24)25)30(23(29)32)15-17-5-9-19(34-2)10-6-17/h3-10H,11-15H2,1-2H3,(H4,24,25,26)(H,27,28,31)
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n/an/a 461n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294598
PNG
(1-(2-(5-(3,4-dichlorobenzyl)-4,6-dioxo-1-(4-propox...)
Show SMILES CCCOc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1
Show InChI InChI=1S/C23H27Cl2N7O3/c1-2-11-35-17-6-3-15(4-7-17)13-31-21(29-10-9-28-20(26)27)30-22(33)32(23(31)34)14-16-5-8-18(24)19(25)12-16/h3-8,12H,2,9-11,13-14H2,1H3,(H4,26,27,28)(H,29,30,33)
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n/an/a 515n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50121327
PNG
(CHEMBL3622089)
Show SMILES CCn1c(cc2cc(Cl)ccc12)C1CCCN(C1)C(=O)c1cn(C)nc1N
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294590
PNG
(1-(2-(5-(4-hydroxybenzyl)-1-(4-methoxybenzyl)-4,6-...)
Show SMILES COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(O)cc3)c2=O)cc1
Show InChI InChI=1S/C21H25N7O4/c1-32-17-8-4-15(5-9-17)12-27-19(25-11-10-24-18(22)23)26-20(30)28(21(27)31)13-14-2-6-16(29)7-3-14/h2-9,29H,10-13H2,1H3,(H4,22,23,24)(H,25,26,30)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294593
PNG
(1-(3-(5-(3,4-dichlorobenzyl)-1-(4-methoxybenzyl)-4...)
Show SMILES COc1ccc(Cn2c(NCCCN=C(N)N)nc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1
Show InChI InChI=1S/C22H25Cl2N7O3/c1-34-16-6-3-14(4-7-16)12-30-20(28-10-2-9-27-19(25)26)29-21(32)31(22(30)33)13-15-5-8-17(23)18(24)11-15/h3-8,11H,2,9-10,12-13H2,1H3,(H4,25,26,27)(H,28,29,32)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294602
PNG
(1-(2-(5-(4-chlorobenzyl)-1-(furan-3-yl)-4,6-dioxo-...)
Show SMILES NC(N)=NCCNc1nc(=O)n(Cc2ccc(Cl)cc2)c(=O)n1-c1ccoc1
Show InChI InChI=1S/C17H18ClN7O3/c18-12-3-1-11(2-4-12)9-24-16(26)23-15(22-7-6-21-14(19)20)25(17(24)27)13-5-8-28-10-13/h1-5,8,10H,6-7,9H2,(H4,19,20,21)(H,22,23,26)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294583
PNG
(1-(2-(5-butyl-1-(4-methoxybenzyl)-4,6-dioxo-1,4,5,...)
Show SMILES CCCCn1c(=O)nc(NCCN=C(N)N)n(Cc2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C18H27N7O3/c1-3-4-11-24-17(26)23-16(22-10-9-21-15(19)20)25(18(24)27)12-13-5-7-14(28-2)8-6-13/h5-8H,3-4,9-12H2,1-2H3,(H4,19,20,21)(H,22,23,26)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294607
PNG
(1-(2-(1-(4-methoxybenzyl)-4,6-dioxo-5-phenethyl-1,...)
Show SMILES COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(CCc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C22H27N7O3/c1-32-18-9-7-17(8-10-18)15-29-20(26-13-12-25-19(23)24)27-21(30)28(22(29)31)14-11-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294584
PNG
(1-(2-(5-(furan-2-yl)-1-(4-methoxybenzyl)-4,6-dioxo...)
Show SMILES COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(-c3ccco3)c2=O)cc1
Show InChI InChI=1S/C18H21N7O4/c1-28-13-6-4-12(5-7-13)11-24-16(22-9-8-21-15(19)20)23-17(26)25(18(24)27)14-3-2-10-29-14/h2-7,10H,8-9,11H2,1H3,(H4,19,20,21)(H,22,23,26)
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n/an/a 2.59E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294594
PNG
(1-(2-(5-(4-fluorobenzyl)-1-(4-methoxyphenethyl)-4,...)
Show SMILES COc1ccc(CCn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1
Show InChI InChI=1S/C22H26FN7O3/c1-33-18-8-4-15(5-9-18)10-13-29-20(27-12-11-26-19(24)25)28-21(31)30(22(29)32)14-16-2-6-17(23)7-3-16/h2-9H,10-14H2,1H3,(H4,24,25,26)(H,27,28,31)
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n/an/a 2.86E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294600
PNG
(1-(2-(5-(4-methoxybenzyl)-1-((4-methoxycyclohexyl)...)
Show SMILES COC1CCC(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(OC)cc3)c2=O)CC1
Show InChI InChI=1S/C22H33N7O4/c1-32-17-7-3-15(4-8-17)13-28-20(26-12-11-25-19(23)24)27-21(30)29(22(28)31)14-16-5-9-18(33-2)10-6-16/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 3.26E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294587
PNG
(1-(2-(5-(3-methoxybenzyl)-1-(4-methoxybenzyl)-4,6-...)
Show SMILES COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3cccc(OC)c3)c2=O)cc1
Show InChI InChI=1S/C22H27N7O4/c1-32-17-8-6-15(7-9-17)13-28-20(26-11-10-25-19(23)24)27-21(30)29(22(28)31)14-16-4-3-5-18(12-16)33-2/h3-9,12H,10-11,13-14H2,1-2H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 3.69E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294595
PNG
(1-(2-(1-benzyl-5-(4-chloro-2-methoxybenzyl)-4,6-di...)
Show SMILES NC(N)=NCCNc1nc(=O)n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C20H22ClN7O2/c21-16-8-6-15(7-9-16)13-28-19(29)26-18(25-11-10-24-17(22)23)27(20(28)30)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H4,22,23,24)(H,25,26,29)
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n/an/a 4.78E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294599
PNG
(1-(2-(5-(3,4-dichlorobenzyl)-1-hexyl-4,6-dioxo-1,4...)
Show SMILES CCCCCCn1c(NCCN=C(N)N)nc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O
Show InChI InChI=1S/C19H27Cl2N7O2/c1-2-3-4-5-10-27-17(25-9-8-24-16(22)23)26-18(29)28(19(27)30)12-13-6-7-14(20)15(21)11-13/h6-7,11H,2-5,8-10,12H2,1H3,(H4,22,23,24)(H,25,26,29)
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n/an/a 6.51E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50121326
PNG
(CHEMBL3622088)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)c1[nH]c2ccccc2c1C
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50121329
PNG
(CHEMBL3622091)
Show SMILES COC1(CCCN(C1)C(=O)c1cn(C)nc1N)c1ncc(Cl)cc1C
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294597
PNG
(1-(2-(5-(4-fluorobenzyl)-1-(4-nitrobenzyl)-4,6-dio...)
Show SMILES NC(N)=NCCNc1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H21FN8O4/c21-15-5-1-13(2-6-15)12-28-19(30)26-18(25-10-9-24-17(22)23)27(20(28)31)11-14-3-7-16(8-4-14)29(32)33/h1-8H,9-12H2,(H4,22,23,24)(H,25,26,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294588
PNG
(1-(2-(5-(2-methoxybenzyl)-1-(4-methoxybenzyl)-4,6-...)
Show SMILES COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccccc3OC)c2=O)cc1
Show InChI InChI=1S/C22H27N7O4/c1-32-17-9-7-15(8-10-17)13-28-20(26-12-11-25-19(23)24)27-21(30)29(22(28)31)14-16-5-3-4-6-18(16)33-2/h3-10H,11-14H2,1-2H3,(H4,23,24,25)(H,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM50294605
PNG
(1-(2-(5-benzyl-1-(4-fluorobenzyl)-4,6-dioxo-1,4,5,...)
Show SMILES NC(N)=NCCNc1nc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccc(F)cc1
Show InChI InChI=1S/C20H22FN7O2/c21-16-8-6-15(7-9-16)12-27-18(25-11-10-24-17(22)23)26-19(29)28(20(27)30)13-14-4-2-1-3-5-14/h1-9H,10-13H2,(H4,22,23,24)(H,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair