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Compile Data Set for Download or QSAR

Found 799 hits with Last Name = 'li' and Initial = 'jx'   
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 FF receptor 2


(Homo sapiens (Human))
BDBM50565178
PNG
(CHEMBL4460742)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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0.0270n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]EYF from human NPFFR2 expressed in CHO cells by gamma-counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029188
PNG
(CHEMBL2165920)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C45H72N14O10/c1-24(2)21-31(57-40(65)30(23-35(47)61)56-42(67)33-15-10-20-59(33)44(69)36(48)25(3)4)43(68)58-19-9-14-32(58)41(66)54-28(16-17-34(46)60)39(64)53-27(13-8-18-52-45(50)51)38(63)55-29(37(49)62)22-26-11-6-5-7-12-26/h5-7,11-12,24-25,27-33,36H,8-10,13-23,48H2,1-4H3,(H2,46,60)(H2,47,61)(H2,49,62)(H,53,64)(H,54,66)(H,55,63)(H,56,67)(H,57,65)(H4,50,51,52)/t27-,28-,29-,30-,31-,32-,33-,36-/m0/s1
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0.590n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]YVP from human NPFFR1 expressed in CHO cells by gamma-counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50565194
PNG
(CHEMBL4793841)
Show SMILES NC1=NC=C(CN1)c1ccc(Cl)c(Cl)c1 |c:3,t:1|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-FFRF-NH2 from human NPFFR1 expressed in CHO cell membrane by Topcount scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029188
PNG
(CHEMBL2165920)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C45H72N14O10/c1-24(2)21-31(57-40(65)30(23-35(47)61)56-42(67)33-15-10-20-59(33)44(69)36(48)25(3)4)43(68)58-19-9-14-32(58)41(66)54-28(16-17-34(46)60)39(64)53-27(13-8-18-52-45(50)51)38(63)55-29(37(49)62)22-26-11-6-5-7-12-26/h5-7,11-12,24-25,27-33,36H,8-10,13-23,48H2,1-4H3,(H2,46,60)(H2,47,61)(H2,49,62)(H,53,64)(H,54,66)(H,55,63)(H,56,67)(H,57,65)(H4,50,51,52)/t27-,28-,29-,30-,31-,32-,33-,36-/m0/s1
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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]YVP from human NPFFR1 expressed in HEK293 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50565189
PNG
(CHEMBL4779743)
Show SMILES COc1cc2C[C@H](C)[C@](C)(O)[C@H](C(=O)Oc3ccccc3)c3cc(C)c(C)c(OC)c3-c2c(OC)c1OC |r|
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of TAMRA-NPFF from human NPFFR2 expressed in CHO-K1 cells preincubated for 15 mins followed by GTPgammaS addition and measured after 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50037567
PNG
(2-[(Pyrrolidine-2-carbonyl)-amino]-pentanedioic ac...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-42(67-48(74)37(56)29-35-18-20-36(70)21-19-35)53(79)68(3)44(31-34-14-8-5-9-15-34)52(78)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)50(76)63-38(16-10-26-62-55(60)61)49(75)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,76)(H,64,77)(H,65,78)(H,66,75)(H,67,74)(H4,60,61,62)/t37-,38+,39+,40+,41+,42+,43+,44+/m1/s1
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1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-1DMeNPFF from rat NPFFR1 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(RAT)
BDBM50037567
PNG
(2-[(Pyrrolidine-2-carbonyl)-amino]-pentanedioic ac...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-42(67-48(74)37(56)29-35-18-20-36(70)21-19-35)53(79)68(3)44(31-34-14-8-5-9-15-34)52(78)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)50(76)63-38(16-10-26-62-55(60)61)49(75)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,76)(H,64,77)(H,65,78)(H,66,75)(H,67,74)(H4,60,61,62)/t37-,38+,39+,40+,41+,42+,43+,44+/m1/s1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-1DMeNPFF from rat NPFFR2 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50037567
PNG
(2-[(Pyrrolidine-2-carbonyl)-amino]-pentanedioic ac...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-42(67-48(74)37(56)29-35-18-20-36(70)21-19-35)53(79)68(3)44(31-34-14-8-5-9-15-34)52(78)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)50(76)63-38(16-10-26-62-55(60)61)49(75)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,76)(H,64,77)(H,65,78)(H,66,75)(H,67,74)(H4,60,61,62)/t37-,38+,39+,40+,41+,42+,43+,44+/m1/s1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]YVP from human NPFFR1 expressed in HEK293 cells by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50565190
PNG
(CHEMBL4800299)
Show SMILES COc1cc2C[C@H](C)[C@](C)(O)[C@H](C(=O)Oc3ccccc3)c3cc4CCc4c(OC)c3-c2c(OC)c1OC |r|
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2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of TAMRA-NPFF from human NPFFR2 expressed in CHO-K1 cells preincubated for 15 mins followed by GTPgammaS addition and measured after 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50565178
PNG
(CHEMBL4460742)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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2.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]YVP from human NPFFR1 expressed in CHO cells by gamma-counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50037567
PNG
(2-[(Pyrrolidine-2-carbonyl)-amino]-pentanedioic ac...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-42(67-48(74)37(56)29-35-18-20-36(70)21-19-35)53(79)68(3)44(31-34-14-8-5-9-15-34)52(78)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)50(76)63-38(16-10-26-62-55(60)61)49(75)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,76)(H,64,77)(H,65,78)(H,66,75)(H,67,74)(H4,60,61,62)/t37-,38+,39+,40+,41+,42+,43+,44+/m1/s1
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3.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-1DMeNPFF from human NPFFR2 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50034115
PNG
(1N-[1-carbamoyl-2-phenyl-(1S)-ethyl]-5-amino(imino...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H42N8O4S/c1-42-16-14-23(35-26(39)21(30)17-19-9-4-2-5-10-19)28(41)36-22(13-8-15-34-29(32)33)27(40)37-24(25(31)38)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H2,31,38)(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)/t21-,22-,23-,24-/m0/s1
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6.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]EYF from human NPFFR2 expressed in CHO cell membranes


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50565185
PNG
(CHEMBL4777535)
Show SMILES Cc1cc(NC(N)=N)nc2ccccc12
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7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat NPFFR1 by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50037567
PNG
(2-[(Pyrrolidine-2-carbonyl)-amino]-pentanedioic ac...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-42(67-48(74)37(56)29-35-18-20-36(70)21-19-35)53(79)68(3)44(31-34-14-8-5-9-15-34)52(78)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)50(76)63-38(16-10-26-62-55(60)61)49(75)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,76)(H,64,77)(H,65,78)(H,66,75)(H,67,74)(H4,60,61,62)/t37-,38+,39+,40+,41+,42+,43+,44+/m1/s1
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7.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-1DMeNPFF from human NPFFR1 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50442584
PNG
(CHEMBL2440929)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
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)/t23-/m0/s1
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]YVP from human NPFFR1 expressed in CHO cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50565185
PNG
(CHEMBL4777535)
Show SMILES Cc1cc(NC(N)=N)nc2ccccc12
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human NPFFR1 by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029188
PNG
(CHEMBL2165920)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C45H72N14O10/c1-24(2)21-31(57-40(65)30(23-35(47)61)56-42(67)33-15-10-20-59(33)44(69)36(48)25(3)4)43(68)58-19-9-14-32(58)41(66)54-28(16-17-34(46)60)39(64)53-27(13-8-18-52-45(50)51)38(63)55-29(37(49)62)22-26-11-6-5-7-12-26/h5-7,11-12,24-25,27-33,36H,8-10,13-23,48H2,1-4H3,(H2,46,60)(H2,47,61)(H2,49,62)(H,53,64)(H,54,66)(H,55,63)(H,56,67)(H,57,65)(H4,50,51,52)/t27-,28-,29-,30-,31-,32-,33-,36-/m0/s1
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]EYF from human NPFFR2 expressed in CHO cells by gamma-counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50565184
PNG
(CHEMBL4799458)
Show SMILES Cc1cc(NC(N)=N)nc2ccc(Cl)cc12
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human NPFFR1 by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50565184
PNG
(CHEMBL4799458)
Show SMILES Cc1cc(NC(N)=N)nc2ccc(Cl)cc12
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat NPFFR1 by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50037573
PNG
((S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-pentane...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H39N9O5/c26-20(35)11-10-18(33-22(37)16-8-4-12-30-16)24(39)32-17(9-5-13-31-25(28)29)23(38)34-19(21(27)36)14-15-6-2-1-3-7-15/h1-3,6-7,16-19,30H,4-5,8-14H2,(H2,26,35)(H2,27,36)(H,32,39)(H,33,37)(H,34,38)(H4,28,29,31)/t16-,17-,18-,19-/m0/s1
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-1DMeNPFF from human NPFFR2 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50037573
PNG
((S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-pentane...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H39N9O5/c26-20(35)11-10-18(33-22(37)16-8-4-12-30-16)24(39)32-17(9-5-13-31-25(28)29)23(38)34-19(21(27)36)14-15-6-2-1-3-7-15/h1-3,6-7,16-19,30H,4-5,8-14H2,(H2,26,35)(H2,27,36)(H,32,39)(H,33,37)(H,34,38)(H4,28,29,31)/t16-,17-,18-,19-/m0/s1
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-1DMeNPFF from rat NPFFR1 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(RAT)
BDBM50037573
PNG
((S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-pentane...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H39N9O5/c26-20(35)11-10-18(33-22(37)16-8-4-12-30-16)24(39)32-17(9-5-13-31-25(28)29)23(38)34-19(21(27)36)14-15-6-2-1-3-7-15/h1-3,6-7,16-19,30H,4-5,8-14H2,(H2,26,35)(H2,27,36)(H,32,39)(H,33,37)(H,34,38)(H4,28,29,31)/t16-,17-,18-,19-/m0/s1
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-1DMeNPFF from rat NPFFR2 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50565194
PNG
(CHEMBL4793841)
Show SMILES NC1=NC=C(CN1)c1ccc(Cl)c(Cl)c1 |c:3,t:1|
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37n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-FFRF-NH2 from human NPFFR2 expressed in CHO cell membrane by Topcount scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50037573
PNG
((S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-pentane...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H39N9O5/c26-20(35)11-10-18(33-22(37)16-8-4-12-30-16)24(39)32-17(9-5-13-31-25(28)29)23(38)34-19(21(27)36)14-15-6-2-1-3-7-15/h1-3,6-7,16-19,30H,4-5,8-14H2,(H2,26,35)(H2,27,36)(H,32,39)(H,33,37)(H,34,38)(H4,28,29,31)/t16-,17-,18-,19-/m0/s1
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40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-1DMeNPFF from human NPFFR1 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50336912
PNG
(Adamantane-1-carboxylic acid [(S)-1-((S)-1-carbamo...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,9:11:18:14.15.16,20:11:18:14.15.16,THB:20:15:18:12.11.19,19:11:14:18.17.16,19:17:14:12.11.20|
Show InChI InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21-,26?/m0/s1
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58n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]YVP from human NPFFR1 expressed in CHO cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50336912
PNG
(Adamantane-1-carboxylic acid [(S)-1-((S)-1-carbamo...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,9:11:18:14.15.16,20:11:18:14.15.16,THB:20:15:18:12.11.19,19:11:14:18.17.16,19:17:14:12.11.20|
Show InChI InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21-,26?/m0/s1
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75n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]Tyr-NPFF from human NPFFR2 expressed in green monkey Cos-1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50565185
PNG
(CHEMBL4777535)
Show SMILES Cc1cc(NC(N)=N)nc2ccccc12
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91n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human NPFFR2 by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50565188
PNG
(CHEMBL4784123)
Show SMILES Cl.NC(=N)N\N=C\c1ccc(Br)c(Br)c1
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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of 125I-NPFF from human NPFFR1 incubated for 2 hrs by TopCount scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50565179
PNG
(CHEMBL4782986)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
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101n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I](Tyr)NPF from rat NPFFR1 expressed in rat PC12 cells incubated for 1 hr


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50565184
PNG
(CHEMBL4799458)
Show SMILES Cc1cc(NC(N)=N)nc2ccc(Cl)cc12
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123n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human NPFFR2 by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50565188
PNG
(CHEMBL4784123)
Show SMILES Cl.NC(=N)N\N=C\c1ccc(Br)c(Br)c1
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126n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of 125I-NPFF from human NPFFR2 incubated for 2 hrs by TopCount scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50565191
PNG
(CHEMBL4778746)
Show SMILES O=C(NCCc1ccccc1)[C@H](CCCN1CCCCC1)NC(=O)c1ccccc1-c1ccccc1 |r|
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172n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-FFRF-NH2 from human FLAG-tagged NPFFR1 expressed in CHO cell membrane incubated for 30 mins by Topcount scintillation counting m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(RAT)
BDBM50565185
PNG
(CHEMBL4777535)
Show SMILES Cc1cc(NC(N)=N)nc2ccccc12
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185n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat NPFFR2 by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(RAT)
BDBM50565184
PNG
(CHEMBL4799458)
Show SMILES Cc1cc(NC(N)=N)nc2ccc(Cl)cc12
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282n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat NPFFR2 by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50442584
PNG
(CHEMBL2440929)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
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)/t23-/m0/s1
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461n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]Tyr-NPFF from human NPFFR2 expressed in green monkey Cos-1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50565191
PNG
(CHEMBL4778746)
Show SMILES O=C(NCCc1ccccc1)[C@H](CCCN1CCCCC1)NC(=O)c1ccccc1-c1ccccc1 |r|
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560n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-FFRF-NH2 from human FLAG-tagged NPFFR2 expressed in CHO cell membrane incubated for 30 mins by Topcount scintillation counting m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50565193
PNG
(CHEMBL4780551)
Show SMILES COc1ccc(CN[C@H]2C[C@H](N(Cc3ccccc3Cl)C2)C(=O)OCCc2ccc(cc2)[N+]([O-])=O)cc1 |r|
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610n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]NPFF from human NPFFR1 expressed in CHO cell membranes incubated for 120 mins by scintillation/luminescence counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50565192
PNG
(CHEMBL4800557)
Show SMILES CCCCCOC(=O)[C@@H]1C[C@@H](CN1Cc1ccccc1Cl)NCc1ccc(OC)cc1 |r|
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890n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]NPFF from human NPFFR1 expressed in CHO cell membranes incubated for 120 mins by scintillation/luminescence counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50565192
PNG
(CHEMBL4800557)
Show SMILES CCCCCOC(=O)[C@@H]1C[C@@H](CN1Cc1ccccc1Cl)NCc1ccc(OC)cc1 |r|
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1.44E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]NPFF from human NPFFR2 expressed in CHO cell membranes incubated for 120 mins by scintillation/luminescence counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50565193
PNG
(CHEMBL4780551)
Show SMILES COc1ccc(CN[C@H]2C[C@H](N(Cc3ccccc3Cl)C2)C(=O)OCCc2ccc(cc2)[N+]([O-])=O)cc1 |r|
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1.67E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]NPFF from human NPFFR2 expressed in CHO cell membranes incubated for 120 mins by scintillation/luminescence counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Prolactin-releasing peptide receptor


(Homo sapiens (Human))
BDBM50565194
PNG
(CHEMBL4793841)
Show SMILES NC1=NC=C(CN1)c1ccc(Cl)c(Cl)c1 |c:3,t:1|
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PrRP-20 from human PrRP receptor expressed in CHO cell membrane by TopCount scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Prolactin-releasing peptide receptor


(Homo sapiens (Human))
BDBM50191288
PNG
(CHEMBL3982697)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#7]=[#6]\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H8Cl2N4.ClH/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12;/h1-4H,(H4,11,12,14);1H/b13-4+;
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PrRP-20 from human PrRP receptor expressed in CHO cell membrane by TopCount scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50565194
PNG
(CHEMBL4793841)
Show SMILES NC1=NC=C(CN1)c1ccc(Cl)c(Cl)c1 |c:3,t:1|
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-43RFa from human QRFP receptor expressed in CHO cell membrane by TopCount scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM50565194
PNG
(CHEMBL4793841)
Show SMILES NC1=NC=C(CN1)c1ccc(Cl)c(Cl)c1 |c:3,t:1|
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-Kp-10 from human KISS1R expressed in CHO cell membrane by TopCount scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50191288
PNG
(CHEMBL3982697)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#7]=[#6]\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H8Cl2N4.ClH/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12;/h1-4H,(H4,11,12,14);1H/b13-4+;
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-43RFa from human QRFP receptor expressed in CHO cell membrane by TopCount scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))
BDBM50191288
PNG
(CHEMBL3982697)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#7]=[#6]\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H8Cl2N4.ClH/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12;/h1-4H,(H4,11,12,14);1H/b13-4+;
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-Kp-10 from human KISS1R expressed in CHO cell membrane by TopCount scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50565179
PNG
(CHEMBL4782986)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I](Tyr)NPF from rat NPFFR1 expressed in rat PC12 cells incubated for 1 hr


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50361618
PNG
(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O5/c1-3-33-24(32)20-11-17-10-16(8-9-18(17)26-20)21-12-19(27-28(21)2)22(29)25-13-14-4-6-15(7-5-14)23(30)31/h4-12,26H,3,13H2,1-2H3,(H,25,29)(H,30,31)
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 expressed in Escherichia coli after 30 mins by fluorimetry


J Med Chem 54: 8174-87 (2011)


Article DOI: 10.1021/jm201129m
BindingDB Entry DOI: 10.7270/Q2C53M9C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Abl1


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
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