Found 109 hits with Last Name = 'simonneaux' and Initial = 'v' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50004178
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1 | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 0.00130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in HEK293 cells by scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50029188
(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 | Reactome pathway
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM50037557
(2-{[1-(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-4...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)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 Show InChI InChI=1S/C54H76N14O10/c1-32(2)28-41(66-47(72)36(55)29-33-14-6-3-7-15-33)50(75)67-42(31-35-18-10-5-11-19-35)51(76)64-39(23-25-45(57)70)53(78)68-27-13-21-43(68)52(77)63-38(22-24-44(56)69)49(74)62-37(20-12-26-61-54(59)60)48(73)65-40(46(58)71)30-34-16-8-4-9-17-34/h3-11,14-19,32,36-43H,12-13,20-31,55H2,1-2H3,(H2,56,69)(H2,57,70)(H2,58,71)(H,62,74)(H,63,77)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,59,60,61)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | UniProtKB/SwissProt
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| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50037557
(2-{[1-(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-4...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)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 Show InChI InChI=1S/C54H76N14O10/c1-32(2)28-41(66-47(72)36(55)29-33-14-6-3-7-15-33)50(75)67-42(31-35-18-10-5-11-19-35)51(76)64-39(23-25-45(57)70)53(78)68-27-13-21-43(68)52(77)63-38(22-24-44(56)69)49(74)62-37(20-12-26-61-54(59)60)48(73)65-40(46(58)71)30-34-16-8-4-9-17-34/h3-11,14-19,32,36-43H,12-13,20-31,55H2,1-2H3,(H2,56,69)(H2,57,70)(H2,58,71)(H,62,74)(H,63,77)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,59,60,61)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | Reactome pathway
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| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50045513
(Kisspeptin-10)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| | PDB
Reactome pathway
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| 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-Kp-10 from human Kiss1 receptor by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM81927
(CAS_60756-96-9 | Lu 12-331 | Pifluthixol)Show SMILES OCCC1CCN(CC\C=C2\c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2/b19-2- | PDB
Reactome pathway
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM50001955
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | PDB
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PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
D(1A) dopamine receptor
(BOVINE) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
Reactome pathway
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| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583768
(CHEMBL5093771)Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1Br)-[#6](-[#7])=O |r| | Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM50029188
(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 | UniProtKB/SwissProt
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Mus musculus) | BDBM50037557
(2-{[1-(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-4...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)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 Show InChI InChI=1S/C54H76N14O10/c1-32(2)28-41(66-47(72)36(55)29-33-14-6-3-7-15-33)50(75)67-42(31-35-18-10-5-11-19-35)51(76)64-39(23-25-45(57)70)53(78)68-27-13-21-43(68)52(77)63-38(22-24-44(56)69)49(74)62-37(20-12-26-61-54(59)60)48(73)65-40(46(58)71)30-34-16-8-4-9-17-34/h3-11,14-19,32,36-43H,12-13,20-31,55H2,1-2H3,(H2,56,69)(H2,57,70)(H2,58,71)(H,62,74)(H,63,77)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,59,60,61)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | UniProtKB/SwissProt
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from mouse NPFF2R receptor by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Pyroglutamylated RF-amide peptide receptor
(Homo sapiens (Human)) | BDBM50347819
(CHEMBL1802414 | P550)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C126H195N37O37/c1-65(2)49-83(155-122(199)94-35-24-48-163(94)98(174)59-142-107(184)89(60-164)157-103(180)68(7)128)106(183)141-58-97(173)162-101(70(9)169)123(200)156-84(50-66(3)4)113(190)143-69(8)104(181)145-80(40-42-99(175)176)111(188)150-81(41-43-100(177)178)112(189)152-85(51-67(5)6)114(191)158-93(64-168)121(198)161-92(63-167)120(197)154-88(55-74-36-38-75(170)39-37-74)117(194)160-90(61-165)118(195)149-78(33-22-46-137-125(132)133)109(186)147-77(32-21-45-136-124(130)131)108(185)146-76(31-19-20-44-127)105(182)140-56-95(171)139-57-96(172)144-86(53-72-27-15-11-16-28-72)115(192)159-91(62-166)119(196)153-87(54-73-29-17-12-18-30-73)116(193)148-79(34-23-47-138-126(134)135)110(187)151-82(102(129)179)52-71-25-13-10-14-26-71/h10-18,25-30,36-39,65-70,76-94,101,164-170H,19-24,31-35,40-64,127-128H2,1-9H3,(H2,129,179)(H,139,171)(H,140,182)(H,141,183)(H,142,184)(H,143,190)(H,144,172)(H,145,181)(H,146,185)(H,147,186)(H,148,193)(H,149,195)(H,150,188)(H,151,187)(H,152,189)(H,153,196)(H,154,197)(H,155,199)(H,156,200)(H,157,180)(H,158,191)(H,159,192)(H,160,194)(H,161,198)(H,162,173)(H,175,176)(H,177,178)(H4,130,131,136)(H4,132,133,137)(H4,134,135,138)/t68-,69-,70+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,101-/m0/s1 | UniProtKB/SwissProt
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-43RFa from human QRFP receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Prolactin-releasing peptide
(Homo sapiens) | BDBM50583783
(CHEMBL5082678)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| | MMDB
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TBA
| Assay Description
Displacement of [3H]-PrRP-20 from human PrRP receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
Reactome pathway
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| 2.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM81195
((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...)Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2 | PDB
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University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | PDB
Reactome pathway
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University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM50583768
(CHEMBL5093771)Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1Br)-[#6](-[#7])=O |r| | UniProtKB/SwissProt
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583765
(CHEMBL5090293)Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| | Reactome pathway
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TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583777
(CHEMBL5085324)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r| | Reactome pathway
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TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583770
(CHEMBL5071745)Show SMILES NC(=N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:28.30,wD:7.6,(81.19,-21.98,;82.53,-22.75,;83.86,-21.97,;82.53,-24.29,;81.2,-25.06,;81.2,-26.6,;79.87,-27.38,;79.88,-28.92,;78.54,-29.69,;77.21,-28.93,;77.21,-27.39,;75.88,-29.7,;74.54,-28.94,;73.21,-29.71,;71.87,-28.95,;70.54,-29.72,;70.54,-31.27,;71.88,-32.04,;73.22,-31.26,;74.54,-27.41,;75.87,-26.63,;75.87,-25.09,;74.53,-24.33,;73.19,-25.11,;73.2,-26.64,;81.22,-29.68,;81.22,-31.22,;82.55,-28.91,;83.89,-29.67,;83.89,-31.21,;85.23,-31.98,;86.64,-31.34,;87.67,-32.49,;86.91,-33.82,;87.38,-35.27,;86.37,-36.42,;84.86,-36.1,;84.38,-34.65,;85.41,-33.51,;85.22,-28.9,;86.56,-29.66,;85.21,-27.36,)| | Reactome pathway
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TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583767
(CHEMBL5075638)Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#6](-[#7])=O |r| | Reactome pathway
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TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50402442
(CHEMBL2208303)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,w:11.10| Show InChI InChI=1S/C24H30N6O3/c25-22(32)20(16-18-10-5-2-6-11-18)30-23(33)19(12-7-15-28-24(26)27)29-21(31)14-13-17-8-3-1-4-9-17/h1-6,8-11,13-14,19-20H,7,12,15-16H2,(H2,25,32)(H,29,31)(H,30,33)(H4,26,27,28)/t19-,20+/m1/s1 | Reactome pathway
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TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583766
(CHEMBL5074999)Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| | Reactome pathway
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TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583769
(CHEMBL5082175)Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1Br)-[#6](-[#7])=O |r| | Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583773
(CHEMBL5091013)Show SMILES [#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r| | Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50336912
(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 | Reactome pathway
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583775
(CHEMBL5088703)Show SMILES [#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r| | Reactome pathway
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM78433
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM50336912
(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 | UniProtKB/SwissProt
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TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583771
(CHEMBL5084208)Show SMILES NC(=N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wD:7.6,28.30,(12.39,-41.51,;13.73,-42.28,;15.06,-41.5,;13.74,-43.82,;12.4,-44.59,;12.41,-46.13,;11.08,-46.91,;11.08,-48.45,;9.75,-49.22,;8.42,-48.46,;8.41,-46.92,;7.09,-49.23,;5.75,-48.47,;4.42,-49.24,;3.08,-48.48,;1.75,-49.25,;1.75,-50.8,;3.08,-51.57,;4.42,-50.79,;5.74,-46.94,;7.08,-46.16,;7.07,-44.62,;5.73,-43.86,;4.4,-44.64,;4.41,-46.17,;12.42,-49.21,;12.43,-50.75,;13.75,-48.44,;15.09,-49.2,;15.1,-50.74,;16.44,-51.51,;17.84,-50.87,;18.87,-52.01,;18.11,-53.35,;18.59,-54.8,;17.57,-55.95,;16.07,-55.63,;15.59,-54.18,;16.61,-53.04,;16.42,-48.43,;17.76,-49.19,;16.42,-46.89,)| | Reactome pathway
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TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM50004822
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1 | PDB
Reactome pathway
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| 30.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583772
(CHEMBL5087609)Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r| | Reactome pathway
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583779
(CHEMBL5093184)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r| | Reactome pathway
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | PDB
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| 51.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21008
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1 | PDB
Reactome pathway
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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Diprenorphine from human DOP receptor expressed in HEK293 cells by scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50565180
(CHEMBL4776204)Show SMILES NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 |r| | Reactome pathway
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TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583781
(CHEMBL5082273)Show SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r| | Reactome pathway
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583776
(CHEMBL5088429)Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r| | Reactome pathway
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50402441
(CHEMBL2208304)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,w:11.10| Show InChI InChI=1S/C24H30N6O3/c25-22(32)20(16-18-10-5-2-6-11-18)30-23(33)19(12-7-15-28-24(26)27)29-21(31)14-13-17-8-3-1-4-9-17/h1-6,8-11,13-14,19-20H,7,12,15-16H2,(H2,25,32)(H,29,31)(H,30,33)(H4,26,27,28)/t19-,20-/m1/s1 | Reactome pathway
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| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
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| 75.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583774
(CHEMBL5082270)Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r| | Reactome pathway
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| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM50583769
(CHEMBL5082175)Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1Br)-[#6](-[#7])=O |r| | UniProtKB/SwissProt
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| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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| 113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 1
(Homo sapiens (Human)) | BDBM50583782
(CHEMBL5091693)Show SMILES [#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r| | Reactome pathway
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| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM50583771
(CHEMBL5084208)Show SMILES NC(=N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wD:7.6,28.30,(12.39,-41.51,;13.73,-42.28,;15.06,-41.5,;13.74,-43.82,;12.4,-44.59,;12.41,-46.13,;11.08,-46.91,;11.08,-48.45,;9.75,-49.22,;8.42,-48.46,;8.41,-46.92,;7.09,-49.23,;5.75,-48.47,;4.42,-49.24,;3.08,-48.48,;1.75,-49.25,;1.75,-50.8,;3.08,-51.57,;4.42,-50.79,;5.74,-46.94,;7.08,-46.16,;7.07,-44.62,;5.73,-43.86,;4.4,-44.64,;4.41,-46.17,;12.42,-49.21,;12.43,-50.75,;13.75,-48.44,;15.09,-49.2,;15.1,-50.74,;16.44,-51.51,;17.84,-50.87,;18.87,-52.01,;18.11,-53.35,;18.59,-54.8,;17.57,-55.95,;16.07,-55.63,;15.59,-54.18,;16.61,-53.04,;16.42,-48.43,;17.76,-49.19,;16.42,-46.89,)| | UniProtKB/SwissProt
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TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM50402442
(CHEMBL2208303)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,w:11.10| Show InChI InChI=1S/C24H30N6O3/c25-22(32)20(16-18-10-5-2-6-11-18)30-23(33)19(12-7-15-28-24(26)27)29-21(31)14-13-17-8-3-1-4-9-17/h1-6,8-11,13-14,19-20H,7,12,15-16H2,(H2,25,32)(H,29,31)(H,30,33)(H4,26,27,28)/t19-,20+/m1/s1 | UniProtKB/SwissProt
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| 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM50583765
(CHEMBL5090293)Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| | UniProtKB/SwissProt
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| 205 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM50565180
(CHEMBL4776204)Show SMILES NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 |r| | UniProtKB/SwissProt
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| 255 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM50583770
(CHEMBL5071745)Show SMILES NC(=N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:28.30,wD:7.6,(81.19,-21.98,;82.53,-22.75,;83.86,-21.97,;82.53,-24.29,;81.2,-25.06,;81.2,-26.6,;79.87,-27.38,;79.88,-28.92,;78.54,-29.69,;77.21,-28.93,;77.21,-27.39,;75.88,-29.7,;74.54,-28.94,;73.21,-29.71,;71.87,-28.95,;70.54,-29.72,;70.54,-31.27,;71.88,-32.04,;73.22,-31.26,;74.54,-27.41,;75.87,-26.63,;75.87,-25.09,;74.53,-24.33,;73.19,-25.11,;73.2,-26.64,;81.22,-29.68,;81.22,-31.22,;82.55,-28.91,;83.89,-29.67,;83.89,-31.21,;85.23,-31.98,;86.64,-31.34,;87.67,-32.49,;86.91,-33.82,;87.38,-35.27,;86.37,-36.42,;84.86,-36.1,;84.38,-34.65,;85.41,-33.51,;85.22,-28.9,;86.56,-29.66,;85.21,-27.36,)| | UniProtKB/SwissProt
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TBA
| Assay Description
Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed in CHO cells by TopCount scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00256
BindingDB Entry DOI: 10.7270/Q2VX0MDH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 315 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 253: 214-20 (1990)
BindingDB Entry DOI: 10.7270/Q2PN9447 |
More data for this
Ligand-Target Pair | |
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