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Compile Data Set for Download or QSAR

Found 549 hits with Last Name = 'ornstein' and Initial = 'pl'   
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 Y receptor type 1


(Homo sapiens (Human))
BDBM50075807
PNG
(1-(3-{1-[2-(4-Iodo-phenyl)-ethyl]-piperidin-4-yl}-...)
Show SMILES Ic1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc34)CC2)cc1
Show InChI InChI=1S/C38H49IN4O2/c39-33-17-15-32(16-18-33)21-28-42-26-19-31(20-27-42)10-8-25-43-35-13-7-14-36(44-29-9-24-41-22-5-2-6-23-41)38(35)40-37(43)30-45-34-11-3-1-4-12-34/h1,3-4,7,11-18,31H,2,5-6,8-10,19-30H2
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0.0520n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075796
PNG
(2-Phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1-{3-...)
Show SMILES C(COc1cccc2n(CCCC3CCN(CCCN4CCCCC4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
Show InChI InChI=1S/C38H57N5O2/c1-4-15-34(16-5-1)45-32-37-39-38-35(17-10-18-36(38)44-31-13-27-41-23-8-3-9-24-41)43(37)28-11-14-33-19-29-42(30-20-33)26-12-25-40-21-6-2-7-22-40/h1,4-5,10,15-18,33H,2-3,6-9,11-14,19-32H2
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0.106n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075811
PNG
(3-(4-{3-[2-Phenoxymethyl-4-(3-piperidin-1-yl-propo...)
Show SMILES O=C(CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1)c1ccccc1
Show InChI InChI=1S/C39H50N4O3/c44-36(33-14-4-1-5-15-33)22-29-42-27-20-32(21-28-42)13-11-26-43-35-18-10-19-37(45-30-12-25-41-23-8-3-9-24-41)39(35)40-38(43)31-46-34-16-6-2-7-17-34/h1-2,4-7,10,14-19,32H,3,8-9,11-13,20-31H2
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0.112n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075803
PNG
(4-(4-{3-[2-Phenoxymethyl-4-(3-piperidin-1-yl-propo...)
Show SMILES O=C(CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1)c1ccccc1
Show InChI InChI=1S/C40H52N4O3/c45-37(34-15-4-1-5-16-34)20-12-26-43-29-22-33(23-30-43)14-11-28-44-36-19-10-21-38(46-31-13-27-42-24-8-3-9-25-42)40(36)41-39(44)32-47-35-17-6-2-7-18-35/h1-2,4-7,10,15-19,21,33H,3,8-9,11-14,20,22-32H2
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0.132n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075812
PNG
(2-Phenoxymethyl-1-{3-[1-((Z)-3-phenyl-allyl)-piper...)
Show SMILES C(COc1cccc2n(CCCC3CCN(C\C=C/c4ccccc4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
Show InChI InChI=1S/C39H50N4O2/c1-4-14-33(15-5-1)16-11-26-42-29-22-34(23-30-42)17-12-28-43-36-20-10-21-37(44-31-13-27-41-24-8-3-9-25-41)39(36)40-38(43)32-45-35-18-6-2-7-19-35/h1-2,4-7,10-11,14-16,18-21,34H,3,8-9,12-13,17,22-32H2/b16-11-
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0.183n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075809
PNG
(1-[3-(1-Phenethyl-piperidin-4-yl)-propyl]-2-phenox...)
Show SMILES C(COc1cccc2n(CCCC3CCN(CCc4ccccc4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
Show InChI InChI=1S/C38H50N4O2/c1-4-13-32(14-5-1)20-27-41-28-21-33(22-29-41)15-11-26-42-35-18-10-19-36(43-30-12-25-40-23-8-3-9-24-40)38(35)39-37(42)31-44-34-16-6-2-7-17-34/h1-2,4-7,10,13-14,16-19,33H,3,8-9,11-12,15,20-31H2
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0.191n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075797
PNG
(1-{3-[1-(2-Cyclohexyl-ethyl)-piperidin-4-yl]-propy...)
Show SMILES C(COc1cccc2n(CCCC3CCN(CCC4CCCCC4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
Show InChI InChI=1S/C38H56N4O2/c1-4-13-32(14-5-1)20-27-41-28-21-33(22-29-41)15-11-26-42-35-18-10-19-36(43-30-12-25-40-23-8-3-9-24-40)38(35)39-37(42)31-44-34-16-6-2-7-17-34/h2,6-7,10,16-19,32-33H,1,3-5,8-9,11-15,20-31H2
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0.285n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075806
PNG
(1-{3-[1-(3-Methyl-butyl)-piperidin-4-yl]-propyl}-2...)
Show SMILES CC(C)CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
Show InChI InChI=1S/C35H52N4O2/c1-29(2)17-24-38-25-18-30(19-26-38)12-10-23-39-32-15-9-16-33(40-27-11-22-37-20-7-4-8-21-37)35(32)36-34(39)28-41-31-13-5-3-6-14-31/h3,5-6,9,13-16,29-30H,4,7-8,10-12,17-28H2,1-2H3
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0.290n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075802
PNG
(4-[2-(4-{3-[2-Phenoxymethyl-4-(3-piperidin-1-yl-pr...)
Show SMILES Oc1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc34)CC2)cc1
Show InChI InChI=1S/C38H50N4O3/c43-33-17-15-32(16-18-33)21-28-41-26-19-31(20-27-41)10-8-25-42-35-13-7-14-36(44-29-9-24-40-22-5-2-6-23-40)38(35)39-37(42)30-45-34-11-3-1-4-12-34/h1,3-4,7,11-18,31,43H,2,5-6,8-10,19-30H2
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0.313n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075799
PNG
(2-Phenoxymethyl-1-{3-[1-(3-phenyl-propyl)-piperidi...)
Show SMILES C(COc1cccc2n(CCCC3CCN(CCCc4ccccc4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
Show InChI InChI=1S/C39H52N4O2/c1-4-14-33(15-5-1)16-11-26-42-29-22-34(23-30-42)17-12-28-43-36-20-10-21-37(44-31-13-27-41-24-8-3-9-25-41)39(36)40-38(43)32-45-35-18-6-2-7-19-35/h1-2,4-7,10,14-15,18-21,34H,3,8-9,11-13,16-17,22-32H2
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0.361n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075798
PNG
(1-[3-(1-Cyclohexylmethyl-piperidin-4-yl)-propyl]-2...)
Show SMILES C(COc1cccc2n(CCCC3CCN(CC4CCCCC4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
Show InChI InChI=1S/C37H54N4O2/c1-4-13-32(14-5-1)29-40-26-20-31(21-27-40)15-11-25-41-34-18-10-19-35(42-28-12-24-39-22-8-3-9-23-39)37(34)38-36(41)30-43-33-16-6-2-7-17-33/h2,6-7,10,16-19,31-32H,1,3-5,8-9,11-15,20-30H2
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0.393n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075795
PNG
(1-[3-(1-But-3-enyl-piperidin-4-yl)-propyl]-2-pheno...)
Show SMILES C=CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
Show InChI InChI=1S/C34H48N4O2/c1-2-3-20-37-25-18-29(19-26-37)13-11-24-38-31-16-10-17-32(39-27-12-23-36-21-8-5-9-22-36)34(31)35-33(38)28-40-30-14-6-4-7-15-30/h2,4,6-7,10,14-17,29H,1,3,5,8-9,11-13,18-28H2
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0.707n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075808
PNG
(2-[1,4']Bipiperidinyl-1'-yl-1-[2-(4-chloro-phenoxy...)
Show SMILES Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCCC2CCCNC2)cc1
Show InChI InChI=1S/C35H47ClN4O2/c36-28-12-14-30(15-13-28)42-26-33-35(34(41)25-38-22-16-29(17-23-38)39-19-4-1-5-20-39)31-10-2-3-11-32(31)40(33)21-7-9-27-8-6-18-37-24-27/h2-3,10-15,27,29,37H,1,4-9,16-26H2
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0.75n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060725
PNG
(2-[1,4']Bipiperidinyl-1'-yl-1-[2-(4-chloro-phenoxy...)
Show SMILES Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC[C@@H]2CCCNC2)cc1
Show InChI InChI=1S/C35H47ClN4O2/c36-28-12-14-30(15-13-28)42-26-33-35(34(41)25-38-22-16-29(17-23-38)39-19-4-1-5-20-39)31-10-2-3-11-32(31)40(33)21-7-9-27-8-6-18-37-24-27/h2-3,10-15,27,29,37H,1,4-9,16-26H2/t27-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human neuropeptide Y receptor type 1, determined by measuring its ability to displace [125]peptide YY


J Med Chem 41: 2709-19 (1998)


Article DOI: 10.1021/jm9706630
BindingDB Entry DOI: 10.7270/Q2TD9WGN
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM85212
PNG
(CAS_5311260 | LY341495 | NSC_5311260)
Show SMILES NC(Cn1cnc2c1[nH]c(=O)[nH]c2=O)(C1CC1C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13N5O6/c13-12(10(21)22,5-1-4(5)9(19)20)2-17-3-14-6-7(17)15-11(23)16-8(6)18/h3-5H,1-2,13H2,(H,19,20)(H,21,22)(H2,15,16,18,23)
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0.800n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 453-60 (2001)


Article DOI: 10.1016/j.bioorg.2016.02.004
BindingDB Entry DOI: 10.7270/Q2V986M2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075804
PNG
(1-[3-(1-Isobutyl-piperidin-4-yl)-propyl]-2-phenoxy...)
Show SMILES CC(C)CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
Show InChI InChI=1S/C34H50N4O2/c1-28(2)26-37-23-17-29(18-24-37)12-10-22-38-31-15-9-16-32(39-25-11-21-36-19-7-4-8-20-36)34(31)35-33(38)27-40-30-13-5-3-6-14-30/h3,5-6,9,13-16,28-29H,4,7-8,10-12,17-27H2,1-2H3
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0.829n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075801
PNG
(1-[3-(1-Methyl-piperidin-4-yl)-propyl]-2-phenoxyme...)
Show SMILES CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
Show InChI InChI=1S/C31H44N4O2/c1-33-22-16-26(17-23-33)11-9-21-35-28-14-8-15-29(36-24-10-20-34-18-6-3-7-19-34)31(28)32-30(35)25-37-27-12-4-2-5-13-27/h2,4-5,8,12-15,26H,3,6-7,9-11,16-25H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075810
PNG
(1-[3-(1-Isopropyl-piperidin-4-yl)-propyl]-2-phenox...)
Show SMILES CC(C)N1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
Show InChI InChI=1S/C33H48N4O2/c1-27(2)36-23-17-28(18-24-36)12-10-22-37-30-15-9-16-31(38-25-11-21-35-19-7-4-8-20-35)33(30)34-32(37)26-39-29-13-5-3-6-14-29/h3,5-6,9,13-16,27-28H,4,7-8,10-12,17-26H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075800
PNG
(1-[3-(1-Allyl-piperidin-4-yl)-propyl]-2-phenoxymet...)
Show SMILES C=CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
Show InChI InChI=1S/C33H46N4O2/c1-2-19-35-24-17-28(18-25-35)12-10-23-37-30-15-9-16-31(38-26-11-22-36-20-7-4-8-21-36)33(30)34-32(37)27-39-29-13-5-3-6-14-29/h2-3,5-6,9,13-16,28H,1,4,7-8,10-12,17-27H2
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1.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50065468
PNG
(2-(4-Chloro-phenoxymethyl)-4-(3-piperidin-1-yl-pro...)
Show SMILES Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1
Show InChI InChI=1S/C30H41ClN4O2/c31-25-12-14-26(15-13-25)37-23-29-33-30-27(35(29)20-6-9-24-8-5-16-32-22-24)10-4-11-28(30)36-21-7-19-34-17-2-1-3-18-34/h4,10-15,24,32H,1-3,5-9,16-23H2
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1.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human neuropeptide Y receptor type 1, determined by measuring its ability to displace [125]peptide YY


J Med Chem 41: 2709-19 (1998)


Article DOI: 10.1021/jm9706630
BindingDB Entry DOI: 10.7270/Q2TD9WGN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50065468
PNG
(2-(4-Chloro-phenoxymethyl)-4-(3-piperidin-1-yl-pro...)
Show SMILES Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1
Show InChI InChI=1S/C30H41ClN4O2/c31-25-12-14-26(15-13-25)37-23-29-33-30-27(35(29)20-6-9-24-8-5-16-32-22-24)10-4-11-28(30)36-21-7-19-34-17-2-1-3-18-34/h4,10-15,24,32H,1-3,5-9,16-23H2
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1.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186127
PNG
(CHEMBL378408 | N-[(R)-2-{4-[2-(acetyl-ethyl-amino)...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1)C(C)=O
Show InChI InChI=1S/C35H48ClN5O3/c1-3-39(25(2)42)24-33(27-9-5-4-6-10-27)40-17-19-41(20-18-40)35(44)32(21-26-13-15-29(36)16-14-26)38-34(43)23-30-22-28-11-7-8-12-31(28)37-30/h7-8,11-16,27,30,32-33,37H,3-6,9-10,17-24H2,1-2H3,(H,38,43)/t30?,32-,33?/m1/s1
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2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50065468
PNG
(2-(4-Chloro-phenoxymethyl)-4-(3-piperidin-1-yl-pro...)
Show SMILES Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1
Show InChI InChI=1S/C30H41ClN4O2/c31-25-12-14-26(15-13-25)37-23-29-33-30-27(35(29)20-6-9-24-8-5-16-32-22-24)10-4-11-28(30)36-21-7-19-34-17-2-1-3-18-34/h4,10-15,24,32H,1-3,5-9,16-23H2
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2n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound at cloned Neuropeptide Y receptor type 1 expressed in AV-12 cells is evaluated.


Bioorg Med Chem Lett 8: 473-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00048-1
BindingDB Entry DOI: 10.7270/Q2GH9H33
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](Sc2nc[nH]n2)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186127
PNG
(CHEMBL378408 | N-[(R)-2-{4-[2-(acetyl-ethyl-amino)...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1)C(C)=O
Show InChI InChI=1S/C35H48ClN5O3/c1-3-39(25(2)42)24-33(27-9-5-4-6-10-27)40-17-19-41(20-18-40)35(44)32(21-26-13-15-29(36)16-14-26)38-34(43)23-30-22-28-11-7-8-12-31(28)37-30/h7-8,11-16,27,30,32-33,37H,3-6,9-10,17-24H2,1-2H3,(H,38,43)/t30?,32-,33?/m1/s1
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3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186124
PNG
(CHEMBL410087 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1)S(C)(=O)=O
Show InChI InChI=1S/C34H48ClN5O4S/c1-3-40(45(2,43)44)24-32(26-9-5-4-6-10-26)38-17-19-39(20-18-38)34(42)31(21-25-13-15-28(35)16-14-25)37-33(41)23-29-22-27-11-7-8-12-30(27)36-29/h7-8,11-16,26,29,31-32,36H,3-6,9-10,17-24H2,1-2H3,(H,37,41)/t29?,31-,32?/m1/s1
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3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186128
PNG
(CHEMBL209990 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC)CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1
Show InChI InChI=1S/C35H50ClN5O2/c1-3-39(4-2)25-33(27-10-6-5-7-11-27)40-18-20-41(21-19-40)35(43)32(22-26-14-16-29(36)17-15-26)38-34(42)24-30-23-28-12-8-9-13-31(28)37-30/h8-9,12-17,27,30,32-33,37H,3-7,10-11,18-25H2,1-2H3,(H,38,42)/t30?,32-,33?/m1/s1
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3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186121
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-(1-cyclopentyl-...)
Show SMILES CCN(CC)CC(C1CCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C34H48ClN5O2/c1-3-38(4-2)24-32(26-9-5-6-10-26)39-17-19-40(20-18-39)34(42)31(21-25-13-15-29(35)16-14-25)37-33(41)30-22-27-11-7-8-12-28(27)23-36-30/h7-8,11-16,26,30-32,36H,3-6,9-10,17-24H2,1-2H3,(H,37,41)/t30-,31-,32?/m1/s1
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4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186131
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-(1-cyclohexyl-2...)
Show SMILES CCN(CC)CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C35H50ClN5O2/c1-3-39(4-2)25-33(27-10-6-5-7-11-27)40-18-20-41(21-19-40)35(43)32(22-26-14-16-30(36)17-15-26)38-34(42)31-23-28-12-8-9-13-29(28)24-37-31/h8-9,12-17,27,31-33,37H,3-7,10-11,18-25H2,1-2H3,(H,38,42)/t31-,32-,33?/m1/s1
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4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50069414
PNG
(2-(4-Chloro-phenoxymethyl)-4-methyl-1-{3-[1-(3-pip...)
Show SMILES Cc1cccc2n(CCCC3CCN(CCCN4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C31H43ClN4O/c1-25-8-5-10-29-31(25)33-30(24-37-28-13-11-27(32)12-14-28)36(29)21-6-9-26-15-22-35(23-16-26)20-7-19-34-17-3-2-4-18-34/h5,8,10-14,26H,2-4,6-7,9,15-24H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity at cloned Neuropeptide Y-1 receptor expressed in AV-12 cells is evaluated.


Bioorg Med Chem Lett 8: 473-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00048-1
BindingDB Entry DOI: 10.7270/Q2GH9H33
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50069414
PNG
(2-(4-Chloro-phenoxymethyl)-4-methyl-1-{3-[1-(3-pip...)
Show SMILES Cc1cccc2n(CCCC3CCN(CCCN4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C31H43ClN4O/c1-25-8-5-10-29-31(25)33-30(24-37-28-13-11-27(32)12-14-28)36(29)21-6-9-26-15-22-35(23-16-26)20-7-19-34-17-3-2-4-18-34/h5,8,10-14,26H,2-4,6-7,9,15-24H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50075805
PNG
(2-Phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1-(3-...)
Show SMILES C(COc1cccc2n(CCCC3CCNCC3)c(COc3ccccc3)nc12)CN1CCCCC1
Show InChI InChI=1S/C30H42N4O2/c1-3-11-26(12-4-1)36-24-29-32-30-27(34(29)22-8-10-25-15-17-31-18-16-25)13-7-14-28(30)35-23-9-21-33-19-5-2-6-20-33/h1,3-4,7,11-14,25,31H,2,5-6,8-10,15-24H2
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4.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells


Bioorg Med Chem Lett 9: 647-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00082-7
BindingDB Entry DOI: 10.7270/Q2QN65ZK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50065469
PNG
(2-Diphenylacetylamino-5-guanidino-pentanoic acid 4...)
Show SMILES NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
Show InChI InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)
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4.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human neuropeptide Y receptor type 1, determined by measuring its ability to displace [125]peptide YY


J Med Chem 41: 2709-19 (1998)


Article DOI: 10.1021/jm9706630
BindingDB Entry DOI: 10.7270/Q2TD9WGN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186128
PNG
(CHEMBL209990 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC)CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1
Show InChI InChI=1S/C35H50ClN5O2/c1-3-39(4-2)25-33(27-10-6-5-7-11-27)40-18-20-41(21-19-40)35(43)32(22-26-14-16-29(36)17-15-26)38-34(42)24-30-23-28-12-8-9-13-31(28)37-30/h8-9,12-17,27,30,32-33,37H,3-7,10-11,18-25H2,1-2H3,(H,38,42)/t30?,32-,33?/m1/s1
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5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186125
PNG
(CHEMBL377825 | N-((R)-3-(4-chlorophenyl)-1-(4-(3-c...)
Show SMILES CCN(CC)CC(CC1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1
Show InChI InChI=1S/C36H52ClN5O2/c1-3-40(4-2)26-32(22-27-10-6-5-7-11-27)41-18-20-42(21-19-41)36(44)34(23-28-14-16-30(37)17-15-28)39-35(43)25-31-24-29-12-8-9-13-33(29)38-31/h8-9,12-17,27,31-32,34,38H,3-7,10-11,18-26H2,1-2H3,(H,39,43)/t31?,32?,34-/m1/s1
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5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186863
PNG
(CHEMBL379497 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC)CC(CC1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C36H52ClN5O2/c1-3-40(4-2)26-31(22-27-10-6-5-7-11-27)41-18-20-42(21-19-41)36(44)34(23-28-14-16-30(37)17-15-28)39-35(43)24-33-32-13-9-8-12-29(32)25-38-33/h8-9,12-17,27,31,33-34,38H,3-7,10-11,18-26H2,1-2H3,(H,39,43)/t31?,33?,34-/m1/s1
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5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50069415
PNG
(2-(4-Chloro-phenoxymethyl)-4-methyl-1-{3-[1-(4-pip...)
Show SMILES Cc1cccc2n(CCCC3CCN(CCCCN4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C32H45ClN4O/c1-26-9-7-11-30-32(26)34-31(25-38-29-14-12-28(33)13-15-29)37(30)22-8-10-27-16-23-36(24-17-27)21-6-5-20-35-18-3-2-4-19-35/h7,9,11-15,27H,2-6,8,10,16-25H2,1H3
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5.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity at cloned Neuropeptide Y-1 receptor expressed in AV-12 cells is evaluated.


Bioorg Med Chem Lett 8: 473-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00048-1
BindingDB Entry DOI: 10.7270/Q2GH9H33
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177564
PNG
(CHEMBL380540 | N-((R)-3-(4-chlorophenyl)-1-(4-(2-(...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2C(C)(C)N1)c1ccccc1F
Show InChI InChI=1S/C37H47ClFN5O2/c1-5-42(6-2)25-34(29-12-8-10-14-31(29)39)43-19-21-44(22-20-43)36(46)33(23-26-15-17-28(38)18-16-26)40-35(45)32-24-27-11-7-9-13-30(27)37(3,4)41-32/h7-18,32-34,41H,5-6,19-25H2,1-4H3,(H,40,45)/t32?,33-,34?/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from cloned human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 2341-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.103
BindingDB Entry DOI: 10.7270/Q2NS0TF6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186124
PNG
(CHEMBL410087 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1)S(C)(=O)=O
Show InChI InChI=1S/C34H48ClN5O4S/c1-3-40(45(2,43)44)24-32(26-9-5-4-6-10-26)38-17-19-39(20-18-38)34(42)31(21-25-13-15-28(35)16-14-25)37-33(41)23-29-22-27-11-7-8-12-30(27)36-29/h7-8,11-16,26,29,31-32,36H,3-6,9-10,17-24H2,1-2H3,(H,37,41)/t29?,31-,32?/m1/s1
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6n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50065463
PNG
(2-(4-Chloro-phenoxymethyl)-4-((S)-3-piperidin-3-yl...)
Show SMILES Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1
Show InChI InChI=1S/C30H41ClN4O2/c31-25-12-14-26(15-13-25)37-22-29-34-30-27(35(29)18-4-8-23-6-2-16-32-20-23)10-1-11-28(30)36-19-5-9-24-7-3-17-33-21-24/h1,10-15,23-24,32-33H,2-9,16-22H2/t23-,24-/m0/s1
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6n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human neuropeptide Y receptor type 1, determined by measuring its ability to displace [125]peptide YY


J Med Chem 41: 2709-19 (1998)


Article DOI: 10.1021/jm9706630
BindingDB Entry DOI: 10.7270/Q2TD9WGN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177560
PNG
(CHEMBL206042 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-(...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCCc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C36H45Cl2N5O2/c1-3-41(4-2)25-34(30-11-7-8-12-31(30)38)42-19-21-43(22-20-42)36(45)33(23-26-13-15-28(37)16-14-26)40-35(44)24-32-29-10-6-5-9-27(29)17-18-39-32/h5-16,32-34,39H,3-4,17-25H2,1-2H3,(H,40,44)/t32?,33-,34?/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from cloned human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 2341-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.103
BindingDB Entry DOI: 10.7270/Q2NS0TF6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177560
PNG
(CHEMBL206042 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-(...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCCc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C36H45Cl2N5O2/c1-3-41(4-2)25-34(30-11-7-8-12-31(30)38)42-19-21-43(22-20-42)36(45)33(23-26-13-15-28(37)16-14-26)40-35(44)24-32-29-10-6-5-9-27(29)17-18-39-32/h5-16,32-34,39H,3-4,17-25H2,1-2H3,(H,40,44)/t32?,33-,34?/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from cloned human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 2341-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.103
BindingDB Entry DOI: 10.7270/Q2NS0TF6
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50074749
PNG
((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...)
Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 453-60 (2001)


Article DOI: 10.1016/j.bioorg.2016.02.004
BindingDB Entry DOI: 10.7270/Q2V986M2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186868
PNG
(CHEMBL213340 | N-{(R)-1-(4-chloro-benzyl)-2-[4-(4-...)
Show SMILES CN1CCC(CC2CCCCC2)(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12
Show InChI InChI=1S/C36H50ClN5O2/c1-40-17-15-36(16-18-40,25-28-7-3-2-4-8-28)42-21-19-41(20-22-42)35(44)33(23-27-11-13-30(37)14-12-27)39-34(43)24-32-31-10-6-5-9-29(31)26-38-32/h5-6,9-14,28,32-33,38H,2-4,7-8,15-26H2,1H3,(H,39,43)/t32?,33-/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3843-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.016
BindingDB Entry DOI: 10.7270/Q2SQ900D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50065460
PNG
(2-(4-Chloro-phenoxymethyl)-4-(2-piperidin-4-yl-eth...)
Show SMILES Clc1ccc(OCc2nc3c(OCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1
Show InChI InChI=1S/C29H39ClN4O2/c30-24-8-10-25(11-9-24)36-21-28-33-29-26(34(28)18-3-5-23-4-2-15-32-20-23)6-1-7-27(29)35-19-14-22-12-16-31-17-13-22/h1,6-11,22-23,31-32H,2-5,12-21H2
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7n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human neuropeptide Y receptor type 1, determined by measuring its ability to displace [125]peptide YY


J Med Chem 41: 2709-19 (1998)


Article DOI: 10.1021/jm9706630
BindingDB Entry DOI: 10.7270/Q2TD9WGN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186138
PNG
(CHEMBL425609 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)n1cc2ccccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C33H44ClN5O4S/c1-3-39(44(2,42)43)24-31(26-9-5-4-6-10-26)36-17-19-37(20-18-36)32(40)30(21-25-13-15-29(34)16-14-25)35-33(41)38-22-27-11-7-8-12-28(27)23-38/h7-8,11-16,22-23,26,30-31H,3-6,9-10,17-21,24H2,1-2H3,(H,35,41)/t30-,31?/m1/s1
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7n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50177563
PNG
(CHEMBL380855 | N-((R)-3-(4-chlorophenyl)-1-(4-(2-(...)
Show SMILES CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12)c1ccccc1F
Show InChI InChI=1S/C35H43ClFN5O2/c1-3-40(4-2)24-33(29-11-7-8-12-30(29)37)41-17-19-42(20-18-41)35(44)32(21-25-13-15-27(36)16-14-25)39-34(43)22-31-28-10-6-5-9-26(28)23-38-31/h5-16,31-33,38H,3-4,17-24H2,1-2H3,(H,39,43)/t31?,32-,33?/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from cloned human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 2341-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.103
BindingDB Entry DOI: 10.7270/Q2NS0TF6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](Sc2nc[nH]n2)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186127
PNG
(CHEMBL378408 | N-[(R)-2-{4-[2-(acetyl-ethyl-amino)...)
Show SMILES CCN(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1Cc2ccccc2N1)C(C)=O
Show InChI InChI=1S/C35H48ClN5O3/c1-3-39(25(2)42)24-33(27-9-5-4-6-10-27)40-17-19-41(20-18-40)35(44)32(21-26-13-15-29(36)16-14-26)38-34(43)23-30-22-28-11-7-8-12-31(28)37-30/h7-8,11-16,27,30,32-33,37H,3-6,9-10,17-24H2,1-2H3,(H,38,43)/t30?,32-,33?/m1/s1
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8n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186132
PNG
(CHEMBL378411 | N-((R)-3-(4-chlorophenyl)-1-(4-(1-c...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CC2Cc3ccccc3N2)C(=O)N2CCN(CC2)C(CN2C(=O)CCC2=O)C2CCCCC2)cc1
Show InChI InChI=1S/C35H44ClN5O4/c36-27-12-10-24(11-13-27)20-30(38-32(42)22-28-21-26-8-4-5-9-29(26)37-28)35(45)40-18-16-39(17-19-40)31(25-6-2-1-3-7-25)23-41-33(43)14-15-34(41)44/h4-5,8-13,25,28,30-31,37H,1-3,6-7,14-23H2,(H,38,42)/t28?,30-,31?/m1/s1
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10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125]I-NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells


Bioorg Med Chem Lett 16: 3449-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.002
BindingDB Entry DOI: 10.7270/Q2ST7PFS
More data for this
Ligand-Target Pair
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