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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'menzel' and Initial = 'k'   
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
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348617
PNG
(CHEMBL1801361)
Show SMILES CCN(CC)C(=O)CCC1(c2c(cccc2OC)-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-4-27(5-2)21(29)13-14-24(17-9-11-18(25)12-10-17)22-19(7-6-8-20(22)30-3)23-26-15-16-28(23)24/h6-12,15-16H,4-5,13-14H2,1-3H3
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348615
PNG
(CHEMBL1801359)
Show SMILES COc1cccc2-c3nccn3C(CC3CCOCC3)(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O2/c1-27-20-4-2-3-19-21(20)23(26-12-11-25-22(19)26,15-16-9-13-28-14-10-16)17-5-7-18(24)8-6-17/h2-8,11-12,16H,9-10,13-15H2,1H3
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n/an/a 46n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348616
PNG
(CHEMBL1801360)
Show SMILES COc1ccc2-c3nccn3C(CCC(=O)N3[C@@H](C)CC[C@H]3C)(c2c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H28ClN3O2/c1-17-4-5-18(2)30(17)24(31)12-13-26(19-6-8-20(27)9-7-19)23-16-21(32-3)10-11-22(23)25-28-14-15-29(25)26/h6-11,14-18H,4-5,12-13H2,1-3H3/t17-,18+,26?
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348614
PNG
(CHEMBL1801358)
Show SMILES COc1ccc-2c(c1)C(CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc-21
Show InChI InChI=1S/C23H23ClN2O2/c1-27-19-6-7-20-21(14-19)23(26-11-10-25-22(20)26,15-16-8-12-28-13-9-16)17-2-4-18(24)5-3-17/h2-7,10-11,14,16H,8-9,12-13,15H2,1H3
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n/an/a 82n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348612
PNG
(CHEMBL1801337)
Show SMILES CCN(CC)C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN3O/c1-3-26(4-2)21(28)13-14-23(17-9-11-18(24)12-10-17)20-8-6-5-7-19(20)22-25-15-16-27(22)23/h5-12,15-16H,3-4,13-14H2,1-2H3
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348611
PNG
(CHEMBL1801336)
Show SMILES C[C@H]1CC[C@@H](C)N1C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H26ClN3O/c1-17-7-8-18(2)29(17)23(30)13-14-25(19-9-11-20(26)12-10-19)22-6-4-3-5-21(22)24-27-15-16-28(24)25/h3-6,9-12,15-18H,7-8,13-14H2,1-2H3/t17-,18+,25?
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n/an/a 92n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348591
PNG
(CHEMBL1801272)
Show SMILES Brc1ccc(cc1)C1(CC2CCOCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H21BrN2O/c23-18-7-5-17(6-8-18)22(15-16-9-13-26-14-10-16)20-4-2-1-3-19(20)21-24-11-12-25(21)22/h1-8,11-12,16H,9-10,13-15H2
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n/an/a 92n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348610
PNG
(CHEMBL1801335)
Show SMILES Clc1ccc(cc1)C1(CCC(=O)N2C3CCC2CCC3)c2ccccc2-c2nccn12
Show InChI InChI=1S/C26H26ClN3O/c27-19-10-8-18(9-11-19)26(15-14-24(31)30-20-4-3-5-21(30)13-12-20)23-7-2-1-6-22(23)25-28-16-17-29(25)26/h1-2,6-11,16-17,20-21H,3-5,12-15H2
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n/an/a 95n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348608
PNG
(CHEMBL1801332)
Show SMILES CC(C)N(C(C)C)C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN3O/c1-17(2)29(18(3)4)23(30)13-14-25(19-9-11-20(26)12-10-19)22-8-6-5-7-21(22)24-27-15-16-28(24)25/h5-12,15-18H,13-14H2,1-4H3
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n/an/a 96n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348606
PNG
(CHEMBL1801330)
Show SMILES N#Cc1ccc(cc1)C1(CC2CCCCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C24H23N3/c25-17-19-10-12-20(13-11-19)24(16-18-6-2-1-3-7-18)22-9-5-4-8-21(22)23-26-14-15-27(23)24/h4-5,8-15,18H,1-3,6-7,16H2
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n/an/a 114n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348619
PNG
(CHEMBL1801333)
Show SMILES CC(C1CCN(CC1)C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1)N1CCCC1
Show InChI InChI=1S/C30H35ClN4O/c1-22(33-17-4-5-18-33)23-13-19-34(20-14-23)28(36)12-15-30(24-8-10-25(31)11-9-24)27-7-3-2-6-26(27)29-32-16-21-35(29)30/h2-3,6-11,16,21-23H,4-5,12-15,17-20H2,1H3
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n/an/a 126n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348607
PNG
(CHEMBL1801331)
Show SMILES CCC1CCCCN1C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClN3O/c1-2-21-7-5-6-17-29(21)24(31)14-15-26(19-10-12-20(27)13-11-19)23-9-4-3-8-22(23)25-28-16-18-30(25)26/h3-4,8-13,16,18,21H,2,5-7,14-15,17H2,1H3
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n/an/a 131n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348603
PNG
(CHEMBL1801327)
Show SMILES Clc1ccc(cc1)C1(CC2CCOCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H21ClN2O/c23-18-7-5-17(6-8-18)22(15-16-9-13-26-14-10-16)20-4-2-1-3-19(20)21-24-11-12-25(21)22/h1-8,11-12,16H,9-10,13-15H2
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n/an/a 134n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348609
PNG
(CHEMBL1801334)
Show SMILES CCN(C(C)C)C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O/c1-4-27(17(2)3)22(29)13-14-24(18-9-11-19(25)12-10-18)21-8-6-5-7-20(21)23-26-15-16-28(23)24/h5-12,15-17H,4,13-14H2,1-3H3
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n/an/a 138n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348605
PNG
(CHEMBL1801329)
Show SMILES N#Cc1ccc(cc1)C1(CC2CCCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H21N3/c24-16-18-9-11-19(12-10-18)23(15-17-5-1-2-6-17)21-8-4-3-7-20(21)22-25-13-14-26(22)23/h3-4,7-14,17H,1-2,5-6,15H2
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n/an/a 145n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348592
PNG
(CHEMBL1801317)
Show SMILES Brc1ccc(cc1)C1(CCC2CCOCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H23BrN2O/c24-19-7-5-18(6-8-19)23(12-9-17-10-15-27-16-11-17)21-4-2-1-3-20(21)22-25-13-14-26(22)23/h1-8,13-14,17H,9-12,15-16H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348613
PNG
(CHEMBL1801338)
Show SMILES CC(C1CCN(CC1)C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1)N1CCC(F)(F)C1
Show InChI InChI=1S/C30H33ClF2N4O/c1-21(36-18-14-29(32,33)20-36)22-11-16-35(17-12-22)27(38)10-13-30(23-6-8-24(31)9-7-23)26-5-3-2-4-25(26)28-34-15-19-37(28)30/h2-9,15,19,21-22H,10-14,16-18,20H2,1H3
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n/an/a 239n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348589
PNG
(CHEMBL1801270)
Show SMILES Brc1ccc(cc1)C1(CC2CCCCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H23BrN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h4-5,8-15,17H,1-3,6-7,16H2
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n/an/a 254n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348590
PNG
(CHEMBL1801271)
Show SMILES Brc1ccc(cc1)C1(CC2CCCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H21BrN2/c23-18-11-9-17(10-12-18)22(15-16-5-1-2-6-16)20-8-4-3-7-19(20)21-24-13-14-25(21)22/h3-4,7-14,16H,1-2,5-6,15H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348593
PNG
(CHEMBL1801318)
Show SMILES Fc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H17FN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h1-15H,16H2
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n/an/a 336n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348588
PNG
(CHEMBL1801269)
Show SMILES Brc1ccc(cc1)C1(Cc2cccnc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H16BrN3/c23-18-9-7-17(8-10-18)22(14-16-4-3-11-24-15-16)20-6-2-1-5-19(20)21-25-12-13-26(21)22/h1-13,15H,14H2
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n/an/a 351n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348594
PNG
(CHEMBL1801319)
Show SMILES Clc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H17ClN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h1-15H,16H2
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n/an/a 358n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348587
PNG
(CHEMBL1801268)
Show SMILES Brc1ccc(cc1)C1(Cc2ccccc2C#N)c2ccccc2-c2nccn12
Show InChI InChI=1S/C24H16BrN3/c25-20-11-9-19(10-12-20)24(15-17-5-1-2-6-18(17)16-26)22-8-4-3-7-21(22)23-27-13-14-28(23)24/h1-14H,15H2
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n/an/a 369n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348586
PNG
(CHEMBL1801267)
Show SMILES Brc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H17BrN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h1-15H,16H2
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n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348586
PNG
(CHEMBL1801267)
Show SMILES Brc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H17BrN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h1-15H,16H2
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n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348596
PNG
(CHEMBL1801321)
Show SMILES N#Cc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C24H17N3/c25-17-19-10-12-20(13-11-19)24(16-18-6-2-1-3-7-18)22-9-5-4-8-21(22)23-26-14-15-27(23)24/h1-15H,16H2
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n/an/a 387n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348601
PNG
(CHEMBL1801326)
Show SMILES N#Cc1ccc(cc1)C1(CC2CCOCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H21N3O/c24-16-18-5-7-19(8-6-18)23(15-17-9-13-27-14-10-17)21-4-2-1-3-20(21)22-25-11-12-26(22)23/h1-8,11-12,17H,9-10,13-15H2
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n/an/a 635n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348602
PNG
(CHEMBL1800088)
Show SMILES Fc1ccc(cc1)C1(CC2CCOCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H21FN2O/c23-18-7-5-17(6-8-18)22(15-16-9-13-26-14-10-16)20-4-2-1-3-19(20)21-24-11-12-25(21)22/h1-8,11-12,16H,9-10,13-15H2
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n/an/a 660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348604
PNG
(CHEMBL1801328)
Show SMILES Brc1ccc(cn1)C1(CC2CCCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C21H20BrN3/c22-19-10-9-16(14-24-19)21(13-15-5-1-2-6-15)18-8-4-3-7-17(18)20-23-11-12-25(20)21/h3-4,7-12,14-15H,1-2,5-6,13H2
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n/an/a 851n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348595
PNG
(CHEMBL1801320)
Show SMILES Cc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C24H20N2/c1-18-11-13-20(14-12-18)24(17-19-7-3-2-4-8-19)22-10-6-5-9-21(22)23-25-15-16-26(23)24/h2-16H,17H2,1H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348618
PNG
(CHEMBL1801362)
Show SMILES Brc1ccc(cc1)C1(Cc2ccccc2)c2cccnc2-c2nccn12
Show InChI InChI=1S/C22H16BrN3/c23-18-10-8-17(9-11-18)22(15-16-5-2-1-3-6-16)19-7-4-12-24-20(19)21-25-13-14-26(21)22/h1-14H,15H2
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n/an/a 1.46E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348599
PNG
(CHEMBL1801324)
Show SMILES Brc1ccc(cn1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H16BrN3/c23-20-11-10-17(15-25-20)22(14-16-6-2-1-3-7-16)19-9-5-4-8-18(19)21-24-12-13-26(21)22/h1-13,15H,14H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348597
PNG
(CHEMBL1801322)
Show SMILES Brc1cccc(c1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H17BrN2/c24-19-10-6-9-18(15-19)23(16-17-7-2-1-3-8-17)21-12-5-4-11-20(21)22-25-13-14-26(22)23/h1-15H,16H2
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n/an/a 1.73E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348600
PNG
(CHEMBL1801325)
Show SMILES Brc1ccc(nc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H16BrN3/c23-17-10-11-20(25-15-17)22(14-16-6-2-1-3-7-16)19-9-5-4-8-18(19)21-24-12-13-26(21)22/h1-13,15H,14H2
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n/an/a 2.18E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348598
PNG
(CHEMBL1801323)
Show SMILES N#Cc1cccc(c1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C24H17N3/c25-17-19-9-6-10-20(15-19)24(16-18-7-2-1-3-8-18)22-12-5-4-11-21(22)23-26-13-14-27(23)24/h1-15H,16H2
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n/an/a 3.17E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50348617
PNG
(CHEMBL1801361)
Show SMILES CCN(CC)C(=O)CCC1(c2c(cccc2OC)-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-4-27(5-2)21(29)13-14-24(17-9-11-18(25)12-10-17)22-19(7-6-8-20(22)30-3)23-26-15-16-28(23)24/h6-12,15-16H,4-5,13-14H2,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CB1 receptor

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50348614
PNG
(CHEMBL1801358)
Show SMILES COc1ccc-2c(c1)C(CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc-21
Show InChI InChI=1S/C23H23ClN2O2/c1-27-19-6-7-20-21(14-19)23(26-11-10-25-22(20)26,15-16-8-12-28-13-9-16)17-2-4-18(24)5-3-17/h2-7,10-11,14,16H,8-9,12-13,15H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 receptor

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Leibniz-Institute for Natural Product Research and Infection Biology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A

J Nat Prod 71: 689-92 (2008)


Article DOI: 10.1021/np070341r
BindingDB Entry DOI: 10.7270/Q2154HZX
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM50251336
PNG
(CHEMBL465047 | butyrolactone I 4''-sulfate)
Show SMILES [#6]-[#8]-[#6](=O)[C@]1([#6]-c2ccc(-[#8]S([#8])(=O)=O)c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)[#8]-[#6](=O)-[#6](=O)-[#6]1-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C24H24O10S/c1-14(2)4-6-17-12-15(5-11-19(17)34-35(29,30)31)13-24(23(28)32-3)20(21(26)22(27)33-24)16-7-9-18(25)10-8-16/h4-5,7-12,20,25H,6,13H2,1-3H3,(H,29,30,31)/t20?,24-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Leibniz-Institute for Natural Product Research and Infection Biology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A

J Nat Prod 71: 689-92 (2008)


Article DOI: 10.1021/np070341r
BindingDB Entry DOI: 10.7270/Q2154HZX
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM50242741
PNG
(CHEMBL460464 | butyrolactone I 3-sulfate)
Show SMILES [#6]-[#8]-[#6](=O)[C@]1([#6]-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)[#8]-[#6](=O)-[#6](-[#8]S([#8])(=O)=O)=[#6]1-c1ccc(-[#8])cc1 |r,c:27|
Show InChI InChI=1S/C24H24O10S/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(28)32-3)20(16-7-9-18(25)10-8-16)21(22(27)33-24)34-35(29,30)31/h4-5,7-12,25-26H,6,13H2,1-3H3,(H,29,30,31)/t24-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Leibniz-Institute for Natural Product Research and Infection Biology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A

J Nat Prod 71: 689-92 (2008)


Article DOI: 10.1021/np070341r
BindingDB Entry DOI: 10.7270/Q2154HZX
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM50326169
PNG
((S)-methyl 4-hydroxy-2-(4-hydroxy-3-(3-methylbut-2...)
Show SMILES [#6]-[#8]-[#6](=O)[C@@]1([#6]-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)[#8]-[#6](=O)-[#6](=O)-[#6]1-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(29)30-3)20(21(27)22(28)31-24)16-7-9-18(25)10-8-16/h4-5,7-12,20,25-26H,6,13H2,1-3H3/t20?,24-/m0/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Leibniz-Institute for Natural Product Research and Infection Biology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A

J Nat Prod 71: 689-92 (2008)


Article DOI: 10.1021/np070341r
BindingDB Entry DOI: 10.7270/Q2154HZX
More data for this
Ligand-Target Pair