Found 162 hits with Last Name = 'wurster' and Initial = 's' 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 |
|---|
Pro-FMRFamide-related neuropeptide FF
(RAT) | BDBM86140
(CAS_123797 | NPFF | NSC_123797)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=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) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Prolactin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM86139
(CAS_235433-36-0 | CAS_99566-27-5 | NPSF | NSC_0 | ...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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/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
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Prolactin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM86148
(CAS_222988-10-5 | PrRP20)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](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@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:31.40,57.60,77.81,101.106,89.92,111.115,96.101,98.104,125.131,151.156,wD:43.56,27.27,62.64,105.111,69.77,12.19,81.89,4.4,2.2,129.134,140.145,(11.09,9.04,;9.83,9.87,;8.5,9.19,;8.39,7.7,;7.21,10.07,;5.85,9.36,;5.77,7.85,;7.06,7,;4.44,7.12,;4.34,5.63,;3.08,4.78,;1.87,5.53,;3.05,3.19,;4.36,2.33,;5.77,3.06,;7.06,2.26,;8.39,2.96,;9.71,2.08,;11.09,2.81,;9.68,.54,;1.69,2.51,;1.51,1,;2.75,.16,;.1,.26,;.05,-1.27,;-1.31,-1.95,;-2.57,-1.1,;-1.39,-3.47,;-2.72,-4.12,;-2.72,-5.66,;-1.39,-6.52,;-4.11,-6.37,;-5.39,-5.51,;-5.32,-3.97,;-6.6,-3.14,;-6.45,-1.58,;-5.09,-.92,;-4.94,.64,;-3.83,-1.75,;-3.93,-3.34,;-4.16,-7.88,;-5.52,-8.56,;-6.81,-7.75,;-5.57,-10.1,;-4.29,-10.95,;-2.92,-10.2,;-2.77,-8.68,;-1.26,-8.31,;-.45,-9.67,;1.03,-10.02,;1.56,-11.53,;.45,-12.54,;-1.06,-12.34,;-1.56,-10.85,;-6.91,-10.8,;-6.93,-12.34,;-5.65,-13.2,;-8.27,-13.1,;-9.63,-12.24,;-8.37,-14.63,;-9.81,-15.21,;-11.14,-14.36,;-9.93,-16.68,;-8.77,-17.76,;-9.48,-19.17,;-11.02,-18.99,;-11.27,-17.46,;-12.68,-16.85,;-12.68,-15.42,;-13.96,-17.66,;-13.99,-19.2,;-12.6,-19.98,;-11.27,-19.17,;-12.6,-21.46,;-15.33,-16.85,;-16.71,-17.58,;-16.66,-19.1,;-18.05,-16.8,;-19.36,-17.58,;-20.67,-16.75,;-20.67,-15.21,;-22.01,-17.53,;-22.03,-19.12,;-20.67,-19.85,;-19.33,-19.07,;-20.67,-21.44,;-23.37,-16.78,;-24.65,-17.63,;-24.65,-19.3,;-25.99,-16.9,;-26.24,-15.39,;-27.78,-15.14,;-28.54,-16.55,;-27.38,-17.63,;-27.58,-19.2,;-26.37,-20.08,;-29.04,-19.8,;-29.19,-21.39,;-30.33,-18.87,;-31.76,-19.5,;-30.15,-17.33,;-18.05,-15.26,;-19.38,-14.46,;-16.71,-14.51,;-16.69,-12.92,;-.13,-4.3,;-.2,-5.81,;1.24,-3.62,;7.26,11.53,;6.05,12.36,;8.62,12.21,;8.65,13.7,;7.36,14.63,;7.44,16.2,;6.2,17.03,;6.28,18.57,;4.94,19.45,;5.04,21.01,;3.5,18.77,;10.08,14.48,;11.29,13.65,;10.31,15.99,;9.2,17.08,;9.93,18.46,;11.44,18.24,;11.7,16.75,;12.98,15.99,;12.98,14.41,;14.29,16.85,;15.6,16.1,;15.63,14.58,;14.32,13.75,;16.94,13.8,;16.89,16.88,;16.86,18.41,;18.2,16.12,;19.49,16.85,;20.85,16.12,;20.82,14.66,;22.21,16.8,;23.52,16.02,;23.49,14.43,;24.86,13.62,;24.83,12.14,;26.12,11.33,;26.09,9.79,;27.4,8.99,;24.78,9.01,;24.88,16.8,;24.88,18.26,;26.24,16.12,;27.6,16.85,;27.63,18.36,;28.99,19.2,;30.33,18.34,;31.74,19.12,;31.76,20.66,;30.45,21.46,;29.04,20.71,;28.89,16.12,;30.15,16.98,;28.86,14.48,)| Show InChI InChI=1S/C104H158N32O26/c1-10-53(5)82(97(158)124-66(29-19-39-116-104(112)113)99(160)134-40-21-32-74(134)94(155)131-81(52(3)4)95(156)119-49-77(142)123-65(28-18-38-115-103(110)111)88(149)125-67(85(107)146)43-58-23-13-12-14-24-58)130-78(143)51-118-87(148)64(27-17-37-114-102(108)109)122-76(141)50-120-96(157)84(57(9)138)133-90(151)68(44-59-33-35-61(139)36-34-59)127-89(150)69(45-60-48-117-63-26-16-15-25-62(60)63)126-86(147)55(7)121-92(153)72-30-20-41-135(72)100(161)71(46-75(105)140)129-98(159)83(54(6)11-2)132-91(152)70(47-79(144)145)128-93(154)73-31-22-42-136(73)101(162)80(106)56(8)137/h12-16,23-26,33-36,48,52-57,64-74,80-84,117,137-139H,10-11,17-22,27-32,37-47,49-51,106H2,1-9H3,(H2,105,140)(H2,107,146)(H,118,148)(H,119,156)(H,120,157)(H,121,153)(H,122,141)(H,123,142)(H,124,158)(H,125,149)(H,126,147)(H,127,150)(H,128,154)(H,129,159)(H,130,143)(H,131,155)(H,132,152)(H,133,151)(H,144,145)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)/t53-,54-,55-,56+,57+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,80-,81-,82-,83-,84-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Pro-FMRFamide-related neuropeptide FF
(RAT) | BDBM86147
(CAS_68615 | FMRFamide | NSC_68615)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=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) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196109
((2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrid...)Show SMILES Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C Show InChI InChI=1S/C25H30N4/c1-18-19(2)26-24-9-4-3-8-23(24)25(18)27-20-10-12-21(13-11-20)29-16-15-28-14-6-5-7-22(28)17-29/h3-4,8-13,22H,5-7,14-17H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Pro-FMRFamide-related neuropeptide FF
(RAT) | BDBM86148
(CAS_222988-10-5 | PrRP20)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](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@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:31.40,57.60,77.81,101.106,89.92,111.115,96.101,98.104,125.131,151.156,wD:43.56,27.27,62.64,105.111,69.77,12.19,81.89,4.4,2.2,129.134,140.145,(11.09,9.04,;9.83,9.87,;8.5,9.19,;8.39,7.7,;7.21,10.07,;5.85,9.36,;5.77,7.85,;7.06,7,;4.44,7.12,;4.34,5.63,;3.08,4.78,;1.87,5.53,;3.05,3.19,;4.36,2.33,;5.77,3.06,;7.06,2.26,;8.39,2.96,;9.71,2.08,;11.09,2.81,;9.68,.54,;1.69,2.51,;1.51,1,;2.75,.16,;.1,.26,;.05,-1.27,;-1.31,-1.95,;-2.57,-1.1,;-1.39,-3.47,;-2.72,-4.12,;-2.72,-5.66,;-1.39,-6.52,;-4.11,-6.37,;-5.39,-5.51,;-5.32,-3.97,;-6.6,-3.14,;-6.45,-1.58,;-5.09,-.92,;-4.94,.64,;-3.83,-1.75,;-3.93,-3.34,;-4.16,-7.88,;-5.52,-8.56,;-6.81,-7.75,;-5.57,-10.1,;-4.29,-10.95,;-2.92,-10.2,;-2.77,-8.68,;-1.26,-8.31,;-.45,-9.67,;1.03,-10.02,;1.56,-11.53,;.45,-12.54,;-1.06,-12.34,;-1.56,-10.85,;-6.91,-10.8,;-6.93,-12.34,;-5.65,-13.2,;-8.27,-13.1,;-9.63,-12.24,;-8.37,-14.63,;-9.81,-15.21,;-11.14,-14.36,;-9.93,-16.68,;-8.77,-17.76,;-9.48,-19.17,;-11.02,-18.99,;-11.27,-17.46,;-12.68,-16.85,;-12.68,-15.42,;-13.96,-17.66,;-13.99,-19.2,;-12.6,-19.98,;-11.27,-19.17,;-12.6,-21.46,;-15.33,-16.85,;-16.71,-17.58,;-16.66,-19.1,;-18.05,-16.8,;-19.36,-17.58,;-20.67,-16.75,;-20.67,-15.21,;-22.01,-17.53,;-22.03,-19.12,;-20.67,-19.85,;-19.33,-19.07,;-20.67,-21.44,;-23.37,-16.78,;-24.65,-17.63,;-24.65,-19.3,;-25.99,-16.9,;-26.24,-15.39,;-27.78,-15.14,;-28.54,-16.55,;-27.38,-17.63,;-27.58,-19.2,;-26.37,-20.08,;-29.04,-19.8,;-29.19,-21.39,;-30.33,-18.87,;-31.76,-19.5,;-30.15,-17.33,;-18.05,-15.26,;-19.38,-14.46,;-16.71,-14.51,;-16.69,-12.92,;-.13,-4.3,;-.2,-5.81,;1.24,-3.62,;7.26,11.53,;6.05,12.36,;8.62,12.21,;8.65,13.7,;7.36,14.63,;7.44,16.2,;6.2,17.03,;6.28,18.57,;4.94,19.45,;5.04,21.01,;3.5,18.77,;10.08,14.48,;11.29,13.65,;10.31,15.99,;9.2,17.08,;9.93,18.46,;11.44,18.24,;11.7,16.75,;12.98,15.99,;12.98,14.41,;14.29,16.85,;15.6,16.1,;15.63,14.58,;14.32,13.75,;16.94,13.8,;16.89,16.88,;16.86,18.41,;18.2,16.12,;19.49,16.85,;20.85,16.12,;20.82,14.66,;22.21,16.8,;23.52,16.02,;23.49,14.43,;24.86,13.62,;24.83,12.14,;26.12,11.33,;26.09,9.79,;27.4,8.99,;24.78,9.01,;24.88,16.8,;24.88,18.26,;26.24,16.12,;27.6,16.85,;27.63,18.36,;28.99,19.2,;30.33,18.34,;31.74,19.12,;31.76,20.66,;30.45,21.46,;29.04,20.71,;28.89,16.12,;30.15,16.98,;28.86,14.48,)| Show InChI InChI=1S/C104H158N32O26/c1-10-53(5)82(97(158)124-66(29-19-39-116-104(112)113)99(160)134-40-21-32-74(134)94(155)131-81(52(3)4)95(156)119-49-77(142)123-65(28-18-38-115-103(110)111)88(149)125-67(85(107)146)43-58-23-13-12-14-24-58)130-78(143)51-118-87(148)64(27-17-37-114-102(108)109)122-76(141)50-120-96(157)84(57(9)138)133-90(151)68(44-59-33-35-61(139)36-34-59)127-89(150)69(45-60-48-117-63-26-16-15-25-62(60)63)126-86(147)55(7)121-92(153)72-30-20-41-135(72)100(161)71(46-75(105)140)129-98(159)83(54(6)11-2)132-91(152)70(47-79(144)145)128-93(154)73-31-22-42-136(73)101(162)80(106)56(8)137/h12-16,23-26,33-36,48,52-57,64-74,80-84,117,137-139H,10-11,17-22,27-32,37-47,49-51,106H2,1-9H3,(H2,105,140)(H2,107,146)(H,118,148)(H,119,156)(H,120,157)(H,121,153)(H,122,141)(H,123,142)(H,124,158)(H,125,149)(H,126,147)(H,127,150)(H,128,154)(H,129,159)(H,130,143)(H,131,155)(H,132,152)(H,133,151)(H,144,145)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)/t53-,54-,55-,56+,57+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,80-,81-,82-,83-,84-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196123
(CHEMBL218675 | {2-methyl-4-[4-(3,3,4-trimethylpipe...)Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1 Show InChI InChI=1S/C24H30N4O/c1-17-21(15-29)23(20-7-5-6-8-22(20)25-17)26-18-9-11-19(12-10-18)28-14-13-27(4)24(2,3)16-28/h5-12,29H,13-16H2,1-4H3,(H,25,26) | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196117
(1-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]-2...)Show SMILES CC(O)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1 Show InChI InChI=1S/C24H30N4O/c1-16-15-28(14-13-27(16)4)20-11-9-19(10-12-20)26-24-21-7-5-6-8-22(21)25-17(2)23(24)18(3)29/h5-12,16,18,29H,13-15H2,1-4H3,(H,25,26) | PDB
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| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196132
(CHEMBL217203 | [4-(3,4-dimethylpiperazin-1-yl)phen...)Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1 Show InChI InChI=1S/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27) | PDB
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Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196142
(CHEMBL218457 | [4-(3,4-dimethylpiperazin-1-yl)phen...)Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C28H30N4/c1-20-19-32(18-17-31(20)3)24-15-13-23(14-16-24)30-28-25-11-7-8-12-26(25)29-21(2)27(28)22-9-5-4-6-10-22/h4-16,20H,17-19H2,1-3H3,(H,29,30) | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM86140
(CAS_123797 | NPFF | NSC_123797)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=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) | UniProtKB/SwissProt
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Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Pro-FMRFamide-related neuropeptide FF
(RAT) | BDBM86139
(CAS_235433-36-0 | CAS_99566-27-5 | NPSF | NSC_0 | ...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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/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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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM86142
(1DMe-Y8Fa | CAS_132709 | NSC_132709)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7](-[#6])-[#6](=O)-[#6](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-44(68(3)53(79)37(56)29-35-18-20-36(70)21-19-35)52(78)67-42(31-34-14-8-5-9-15-34)50(76)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)49(75)63-38(16-10-26-62-55(60)61)48(74)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,63,75)(H,64,77)(H,65,76)(H,66,74)(H,67,78)(H4,60,61,62) | UniProtKB/SwissProt
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| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196139
((3-methylquinolin-4-yl)-[4-(3,3,4-trimethylpiperaz...)Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1 Show InChI InChI=1S/C23H28N4/c1-17-15-24-21-8-6-5-7-20(21)22(17)25-18-9-11-19(12-10-18)27-14-13-26(4)23(2,3)16-27/h5-12,15H,13-14,16H2,1-4H3,(H,24,25) | PDB
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196107
(CHEMBL216464 | {7-chloro-4-[4-(3,3,4-trimethylpipe...)Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C23H27ClN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-12-17(24)4-9-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26) | PDB
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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Pro-FMRFamide-related neuropeptide FF
(RAT) | BDBM86139
(CAS_235433-36-0 | CAS_99566-27-5 | NPSF | NSC_0 | ...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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/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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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196118
(CHEMBL268217 | {4-[4-(3,3,4-trimethylpiperazin-1-y...)Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1 Show InChI InChI=1S/C23H28N4O/c1-23(2)16-27(13-12-26(23)3)19-10-8-18(9-11-19)25-22-17(15-28)14-24-21-7-5-4-6-20(21)22/h4-11,14,28H,12-13,15-16H2,1-3H3,(H,24,25) | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196146
(CHEMBL217177 | [4-(3,4-dimethylpiperazin-1-yl)phen...)Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1 Show InChI InChI=1S/C24H30N4/c1-16-7-6-8-22-23(16)25-19(4)18(3)24(22)26-20-9-11-21(12-10-20)28-14-13-27(5)17(2)15-28/h6-12,17H,13-15H2,1-5H3,(H,25,26) | PDB
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| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196129
(CHEMBL214996 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...)Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1 Show InChI InChI=1S/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)25-23-20-6-4-5-7-22(20)24-17(2)21(23)15-28/h4-11,16,28H,12-15H2,1-3H3,(H,24,25) | PDB
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PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196145
((R)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7,...)Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1 Show InChI InChI=1S/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)/t17-/m1/s1 | PDB
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| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50418050
(CHEMBL1689423)Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C23H27ClN4/c1-15-14-28(12-11-27(15)4)20-8-6-19(7-9-20)26-23-16(2)17(3)25-22-13-18(24)5-10-21(22)23/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26) | PDB
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| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196125
((R)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7-...)Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1 Show InChI InChI=1S/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)/t17-/m1/s1 | PDB
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| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196147
((3-ethyl-2,8-dimethylquinolin-4-yl)-[4-(4-methyl-[...)Show SMILES CCc1c(C)nc2c(C)cccc2c1Nc1ccc(cc1)N1CCCN(C)CC1 Show InChI InChI=1S/C25H32N4/c1-5-22-19(3)26-24-18(2)8-6-9-23(24)25(22)27-20-10-12-21(13-11-20)29-15-7-14-28(4)16-17-29/h6,8-13H,5,7,14-17H2,1-4H3,(H,26,27) | PDB
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| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196131
(CHEMBL217202 | [4-(3,4-dimethylpiperazin-1-yl)phen...)Show InChI InChI=1S/C22H26N4/c1-16-14-23-21-7-5-4-6-20(21)22(16)24-18-8-10-19(11-9-18)26-13-12-25(3)17(2)15-26/h4-11,14,17H,12-13,15H2,1-3H3,(H,23,24) | PDB
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antibodypedia
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| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196126
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(CO)nc3ccccc23)cc1 Show InChI InChI=1S/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)24-23-17(2)22(15-28)25-21-7-5-4-6-20(21)23/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)/t16-/m1/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196116
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1 Show InChI InChI=1S/C22H26N4O/c1-16-14-26(12-11-25(16)2)19-9-7-18(8-10-19)24-22-17(15-27)13-23-21-6-4-3-5-20(21)22/h3-10,13,16,27H,11-12,14-15H2,1-2H3,(H,23,24)/t16-/m1/s1 | PDB
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| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Pro-FMRFamide-related neuropeptide FF
(RAT) | BDBM86146
(CAS_0 | NSC_0 | PrRP24-31)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#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/C42H67N13O9/c1-23(2)19-29(53-37(60)28(21-32(43)56)52-39(62)31-15-10-18-55(31)41(64)34(44)24(3)4)40(63)54-17-9-14-30(54)38(61)49-22-33(57)50-26(13-8-16-48-42(46)47)36(59)51-27(35(45)58)20-25-11-6-5-7-12-25/h5-7,11-12,23-24,26-31,34H,8-10,13-22,44H2,1-4H3,(H2,43,56)(H2,45,58)(H,49,61)(H,50,57)(H,51,59)(H,52,62)(H,53,60)(H4,46,47,48)/t26-,27-,28-,29-,30-,31-,34-/m0/s1 | Reactome pathway
KEGG
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM86147
(CAS_68615 | FMRFamide | NSC_68615)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=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) | UniProtKB/SwissProt
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Pro-FMRFamide-related neuropeptide FF
(RAT) | BDBM86145
(L-Met-L-Pro-L-His-L-Serr-L-Phe-L-Ala-L-Asn-L-Leu-L...)Show SMILES CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:61.65,65.68,42.44,26.27,16.16,12.13,4.4,wD:50.52,73.76,37.40,84.87,(38.04,3.65,;37.72,2.14,;36.25,1.67,;35.93,.16,;34.47,-.32,;33.33,.71,;34.15,-1.82,;32.68,-2.3,;35.29,-2.85,;36.8,-2.53,;37.57,-3.87,;36.54,-5.01,;35.13,-4.39,;33.8,-5.16,;32.47,-4.39,;33.8,-6.7,;32.47,-7.47,;32.47,-9.01,;33.8,-9.78,;33.96,-11.31,;35.47,-11.63,;36.24,-10.29,;35.21,-9.15,;31.13,-6.7,;31.13,-5.16,;29.8,-7.47,;28.46,-6.7,;27.13,-7.47,;27.13,-9.01,;25.8,-9.78,;25.8,-11.32,;27.13,-12.09,;28.46,-11.32,;28.46,-9.78,;28.46,-5.16,;29.8,-4.39,;27.13,-4.39,;27.13,-2.85,;28.46,-2.08,;25.8,-2.08,;24.46,-2.85,;25.8,-.54,;24.46,.23,;23.13,-.54,;21.8,.23,;21.8,1.77,;20.46,-.54,;24.46,1.77,;25.8,2.54,;23.13,2.54,;23.13,4.08,;24.46,4.85,;24.46,6.39,;25.8,7.16,;23.13,7.16,;21.8,4.85,;21.8,6.39,;20.46,4.08,;20.3,2.55,;18.79,2.23,;18.02,3.57,;19.05,4.71,;18.73,6.22,;19.88,7.25,;17.27,6.69,;16.13,5.66,;16.45,4.16,;15.3,3.13,;15.62,1.62,;13.84,3.6,;14.66,6.14,;14.34,7.65,;13.52,5.11,;12.05,5.58,;11.73,7.09,;10.27,7.57,;9.95,9.07,;8.48,9.55,;8.16,11.06,;6.7,11.53,;9.31,12.09,;10.91,4.55,;11.23,3.05,;9.44,5.03,;8.3,4,;6.83,4.47,;5.69,3.44,;4.22,3.92,;3.08,2.89,;3.4,1.38,;4.86,.91,;6.01,1.94,;8.62,2.49,;7.47,1.46,;10.08,2.02,)| Show InChI InChI=1S/C64H96N18O12S/c1-36(2)28-45(57(88)74-43(20-13-24-71-64(68)69)55(86)75-44(53(67)84)30-39-16-9-7-10-17-39)78-61(92)51-22-15-26-82(51)63(94)49(29-37(3)4)80-59(90)48(33-52(66)83)76-54(85)38(5)73-56(87)46(31-40-18-11-8-12-19-40)77-58(89)47(32-41-34-70-35-72-41)79-60(91)50-21-14-25-81(50)62(93)42(65)23-27-95-6/h7-12,16-19,34-38,42-51H,13-15,20-33,65H2,1-6H3,(H2,66,83)(H2,67,84)(H,70,72)(H,73,87)(H,74,88)(H,75,86)(H,76,85)(H,77,89)(H,78,92)(H,79,91)(H,80,90)(H4,68,69,71)/t38-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | Reactome pathway
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| PC cid
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM86145
(L-Met-L-Pro-L-His-L-Serr-L-Phe-L-Ala-L-Asn-L-Leu-L...)Show SMILES CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:61.65,65.68,42.44,26.27,16.16,12.13,4.4,wD:50.52,73.76,37.40,84.87,(38.04,3.65,;37.72,2.14,;36.25,1.67,;35.93,.16,;34.47,-.32,;33.33,.71,;34.15,-1.82,;32.68,-2.3,;35.29,-2.85,;36.8,-2.53,;37.57,-3.87,;36.54,-5.01,;35.13,-4.39,;33.8,-5.16,;32.47,-4.39,;33.8,-6.7,;32.47,-7.47,;32.47,-9.01,;33.8,-9.78,;33.96,-11.31,;35.47,-11.63,;36.24,-10.29,;35.21,-9.15,;31.13,-6.7,;31.13,-5.16,;29.8,-7.47,;28.46,-6.7,;27.13,-7.47,;27.13,-9.01,;25.8,-9.78,;25.8,-11.32,;27.13,-12.09,;28.46,-11.32,;28.46,-9.78,;28.46,-5.16,;29.8,-4.39,;27.13,-4.39,;27.13,-2.85,;28.46,-2.08,;25.8,-2.08,;24.46,-2.85,;25.8,-.54,;24.46,.23,;23.13,-.54,;21.8,.23,;21.8,1.77,;20.46,-.54,;24.46,1.77,;25.8,2.54,;23.13,2.54,;23.13,4.08,;24.46,4.85,;24.46,6.39,;25.8,7.16,;23.13,7.16,;21.8,4.85,;21.8,6.39,;20.46,4.08,;20.3,2.55,;18.79,2.23,;18.02,3.57,;19.05,4.71,;18.73,6.22,;19.88,7.25,;17.27,6.69,;16.13,5.66,;16.45,4.16,;15.3,3.13,;15.62,1.62,;13.84,3.6,;14.66,6.14,;14.34,7.65,;13.52,5.11,;12.05,5.58,;11.73,7.09,;10.27,7.57,;9.95,9.07,;8.48,9.55,;8.16,11.06,;6.7,11.53,;9.31,12.09,;10.91,4.55,;11.23,3.05,;9.44,5.03,;8.3,4,;6.83,4.47,;5.69,3.44,;4.22,3.92,;3.08,2.89,;3.4,1.38,;4.86,.91,;6.01,1.94,;8.62,2.49,;7.47,1.46,;10.08,2.02,)| Show InChI InChI=1S/C64H96N18O12S/c1-36(2)28-45(57(88)74-43(20-13-24-71-64(68)69)55(86)75-44(53(67)84)30-39-16-9-7-10-17-39)78-61(92)51-22-15-26-82(51)63(94)49(29-37(3)4)80-59(90)48(33-52(66)83)76-54(85)38(5)73-56(87)46(31-40-18-11-8-12-19-40)77-58(89)47(32-41-34-70-35-72-41)79-60(91)50-21-14-25-81(50)62(93)42(65)23-27-95-6/h7-12,16-19,34-38,42-51H,13-15,20-33,65H2,1-6H3,(H2,66,83)(H2,67,84)(H,70,72)(H,73,87)(H,74,88)(H,75,86)(H,76,85)(H,77,89)(H,78,92)(H,79,91)(H,80,90)(H4,68,69,71)/t38-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | UniProtKB/SwissProt
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| PC cid
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196113
(CHEMBL262901 | [4-(3,4-dimethylpiperazin-1-yl)phen...)Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1 Show InChI InChI=1S/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26) | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196120
(CHEMBL216727 | [4-(3,4-dimethylpiperazin-1-yl)phen...)Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3ccc(F)cc23)cc1 Show InChI InChI=1S/C23H27FN4/c1-15-14-28(12-11-27(15)4)20-8-6-19(7-9-20)26-23-16(2)17(3)25-22-10-5-18(24)13-21(22)23/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM86139
(CAS_235433-36-0 | CAS_99566-27-5 | NPSF | NSC_0 | ...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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/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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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Pro-FMRFamide-related neuropeptide FF
(RAT) | BDBM86143
(L-Val-L-Pro-L-Asn-L-Leu-L-Pro-L-Gln-L-Arg-L-Phe-NH...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O 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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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM86148
(CAS_222988-10-5 | PrRP20)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](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@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:31.40,57.60,77.81,101.106,89.92,111.115,96.101,98.104,125.131,151.156,wD:43.56,27.27,62.64,105.111,69.77,12.19,81.89,4.4,2.2,129.134,140.145,(11.09,9.04,;9.83,9.87,;8.5,9.19,;8.39,7.7,;7.21,10.07,;5.85,9.36,;5.77,7.85,;7.06,7,;4.44,7.12,;4.34,5.63,;3.08,4.78,;1.87,5.53,;3.05,3.19,;4.36,2.33,;5.77,3.06,;7.06,2.26,;8.39,2.96,;9.71,2.08,;11.09,2.81,;9.68,.54,;1.69,2.51,;1.51,1,;2.75,.16,;.1,.26,;.05,-1.27,;-1.31,-1.95,;-2.57,-1.1,;-1.39,-3.47,;-2.72,-4.12,;-2.72,-5.66,;-1.39,-6.52,;-4.11,-6.37,;-5.39,-5.51,;-5.32,-3.97,;-6.6,-3.14,;-6.45,-1.58,;-5.09,-.92,;-4.94,.64,;-3.83,-1.75,;-3.93,-3.34,;-4.16,-7.88,;-5.52,-8.56,;-6.81,-7.75,;-5.57,-10.1,;-4.29,-10.95,;-2.92,-10.2,;-2.77,-8.68,;-1.26,-8.31,;-.45,-9.67,;1.03,-10.02,;1.56,-11.53,;.45,-12.54,;-1.06,-12.34,;-1.56,-10.85,;-6.91,-10.8,;-6.93,-12.34,;-5.65,-13.2,;-8.27,-13.1,;-9.63,-12.24,;-8.37,-14.63,;-9.81,-15.21,;-11.14,-14.36,;-9.93,-16.68,;-8.77,-17.76,;-9.48,-19.17,;-11.02,-18.99,;-11.27,-17.46,;-12.68,-16.85,;-12.68,-15.42,;-13.96,-17.66,;-13.99,-19.2,;-12.6,-19.98,;-11.27,-19.17,;-12.6,-21.46,;-15.33,-16.85,;-16.71,-17.58,;-16.66,-19.1,;-18.05,-16.8,;-19.36,-17.58,;-20.67,-16.75,;-20.67,-15.21,;-22.01,-17.53,;-22.03,-19.12,;-20.67,-19.85,;-19.33,-19.07,;-20.67,-21.44,;-23.37,-16.78,;-24.65,-17.63,;-24.65,-19.3,;-25.99,-16.9,;-26.24,-15.39,;-27.78,-15.14,;-28.54,-16.55,;-27.38,-17.63,;-27.58,-19.2,;-26.37,-20.08,;-29.04,-19.8,;-29.19,-21.39,;-30.33,-18.87,;-31.76,-19.5,;-30.15,-17.33,;-18.05,-15.26,;-19.38,-14.46,;-16.71,-14.51,;-16.69,-12.92,;-.13,-4.3,;-.2,-5.81,;1.24,-3.62,;7.26,11.53,;6.05,12.36,;8.62,12.21,;8.65,13.7,;7.36,14.63,;7.44,16.2,;6.2,17.03,;6.28,18.57,;4.94,19.45,;5.04,21.01,;3.5,18.77,;10.08,14.48,;11.29,13.65,;10.31,15.99,;9.2,17.08,;9.93,18.46,;11.44,18.24,;11.7,16.75,;12.98,15.99,;12.98,14.41,;14.29,16.85,;15.6,16.1,;15.63,14.58,;14.32,13.75,;16.94,13.8,;16.89,16.88,;16.86,18.41,;18.2,16.12,;19.49,16.85,;20.85,16.12,;20.82,14.66,;22.21,16.8,;23.52,16.02,;23.49,14.43,;24.86,13.62,;24.83,12.14,;26.12,11.33,;26.09,9.79,;27.4,8.99,;24.78,9.01,;24.88,16.8,;24.88,18.26,;26.24,16.12,;27.6,16.85,;27.63,18.36,;28.99,19.2,;30.33,18.34,;31.74,19.12,;31.76,20.66,;30.45,21.46,;29.04,20.71,;28.89,16.12,;30.15,16.98,;28.86,14.48,)| Show InChI InChI=1S/C104H158N32O26/c1-10-53(5)82(97(158)124-66(29-19-39-116-104(112)113)99(160)134-40-21-32-74(134)94(155)131-81(52(3)4)95(156)119-49-77(142)123-65(28-18-38-115-103(110)111)88(149)125-67(85(107)146)43-58-23-13-12-14-24-58)130-78(143)51-118-87(148)64(27-17-37-114-102(108)109)122-76(141)50-120-96(157)84(57(9)138)133-90(151)68(44-59-33-35-61(139)36-34-59)127-89(150)69(45-60-48-117-63-26-16-15-25-62(60)63)126-86(147)55(7)121-92(153)72-30-20-41-135(72)100(161)71(46-75(105)140)129-98(159)83(54(6)11-2)132-91(152)70(47-79(144)145)128-93(154)73-31-22-42-136(73)101(162)80(106)56(8)137/h12-16,23-26,33-36,48,52-57,64-74,80-84,117,137-139H,10-11,17-22,27-32,37-47,49-51,106H2,1-9H3,(H2,105,140)(H2,107,146)(H,118,148)(H,119,156)(H,120,157)(H,121,153)(H,122,141)(H,123,142)(H,124,158)(H,125,149)(H,126,147)(H,127,150)(H,128,154)(H,129,159)(H,130,143)(H,131,155)(H,132,152)(H,133,151)(H,144,145)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)/t53-,54-,55-,56+,57+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,80-,81-,82-,83-,84-/m0/s1 | UniProtKB/SwissProt
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196136
((3-ethyl-2-methylquinolin-4-yl)-[4-(4-methylpipera...)Show InChI InChI=1S/C23H28N4/c1-4-20-17(2)24-22-8-6-5-7-21(22)23(20)25-18-9-11-19(12-10-18)27-15-13-26(3)14-16-27/h5-12H,4,13-16H2,1-3H3,(H,24,25) | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196135
(Acridin-9-yl-[4-(4-methyl-piperazin-1-yl)-phenyl]-...)Show InChI InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26) | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM86146
(CAS_0 | NSC_0 | PrRP24-31)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#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/C42H67N13O9/c1-23(2)19-29(53-37(60)28(21-32(43)56)52-39(62)31-15-10-18-55(31)41(64)34(44)24(3)4)40(63)54-17-9-14-30(54)38(61)49-22-33(57)50-26(13-8-16-48-42(46)47)36(59)51-27(35(45)58)20-25-11-6-5-7-12-25/h5-7,11-12,23-24,26-31,34H,8-10,13-22,44H2,1-4H3,(H2,43,56)(H2,45,58)(H,49,61)(H,50,57)(H,51,59)(H,52,62)(H,53,60)(H4,46,47,48)/t26-,27-,28-,29-,30-,31-,34-/m0/s1 | UniProtKB/SwissProt
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196141
((2,3-dimethylquinolin-4-yl)-[4-(4-methylpiperazin-...)Show InChI InChI=1S/C22H26N4/c1-16-17(2)23-21-7-5-4-6-20(21)22(16)24-18-8-10-19(11-9-18)26-14-12-25(3)13-15-26/h4-11H,12-15H2,1-3H3,(H,23,24) | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196128
((3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiper...)Show SMILES CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H30N4/c1-21-26(20-22-8-4-3-5-9-22)28(25-10-6-7-11-27(25)29-21)30-23-12-14-24(15-13-23)32-18-16-31(2)17-19-32/h3-15H,16-20H2,1-2H3,(H,29,30) | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196130
((2-methyl-3-phenylquinolin-4-yl)-[4-(4-methylpiper...)Show SMILES CN1CCN(CC1)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C27H28N4/c1-20-26(21-8-4-3-5-9-21)27(24-10-6-7-11-25(24)28-20)29-22-12-14-23(15-13-22)31-18-16-30(2)17-19-31/h3-15H,16-19H2,1-2H3,(H,28,29) | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM86139
(CAS_235433-36-0 | CAS_99566-27-5 | NPSF | NSC_0 | ...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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/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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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196122
(CHEMBL217366 | GNF-PF-3878 | N-(4-(4-ethylpiperazi...)Show SMILES CCN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 Show InChI InChI=1S/C25H26N4/c1-2-28-15-17-29(18-16-28)20-13-11-19(12-14-20)26-25-21-7-3-5-9-23(21)27-24-10-6-4-8-22(24)25/h3-14H,2,15-18H2,1H3,(H,26,27) | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196127
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1 Show InChI InChI=1S/C22H25FN4O/c1-15-13-27(10-9-26(15)2)19-6-4-18(5-7-19)25-22-16(14-28)12-24-21-8-3-17(23)11-20(21)22/h3-8,11-12,15,28H,9-10,13-14H2,1-2H3,(H,24,25)/t15-/m1/s1 | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196115
(CHEMBL276417 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...)Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1 Show InChI InChI=1S/C22H25FN4O/c1-15-13-27(10-9-26(15)2)19-6-4-18(5-7-19)25-22-16(14-28)12-24-21-8-3-17(23)11-20(21)22/h3-8,11-12,15,28H,9-10,13-14H2,1-2H3,(H,24,25) | PDB
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PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Prolactin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM86146
(CAS_0 | NSC_0 | PrRP24-31)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#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/C42H67N13O9/c1-23(2)19-29(53-37(60)28(21-32(43)56)52-39(62)31-15-10-18-55(31)41(64)34(44)24(3)4)40(63)54-17-9-14-30(54)38(61)49-22-33(57)50-26(13-8-16-48-42(46)47)36(59)51-27(35(45)58)20-25-11-6-5-7-12-25/h5-7,11-12,23-24,26-31,34H,8-10,13-22,44H2,1-4H3,(H2,43,56)(H2,45,58)(H,49,61)(H,50,57)(H,51,59)(H,52,62)(H,53,60)(H4,46,47,48)/t26-,27-,28-,29-,30-,31-,34-/m0/s1 | UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196108
(CHEMBL424917 | {6-fluoro-4-[4-(3,3,4-trimethylpipe...)Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1 Show InChI InChI=1S/C23H27FN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-9-4-17(24)12-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26) | PDB
UniProtKB/SwissProt
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PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196119
((3-isopropyl-2-methylquinolin-4-yl)-[4-(4-methylpi...)Show SMILES CC(C)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C24H30N4/c1-17(2)23-18(3)25-22-8-6-5-7-21(22)24(23)26-19-9-11-20(12-10-19)28-15-13-27(4)14-16-28/h5-12,17H,13-16H2,1-4H3,(H,25,26) | PDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
Neuropeptide FF receptor 2
(Homo sapiens (Human)) | BDBM86143
(L-Val-L-Pro-L-Asn-L-Leu-L-Pro-L-Gln-L-Arg-L-Phe-NH...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O 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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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 825-32 (2003)
Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50196140
((S)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7-...)Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1 Show InChI InChI=1S/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)/t17-/m0/s1 | PDB
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| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Juvantia Pharma Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells |
J Med Chem 49: 6351-63 (2006)
Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B |
More data for this
Ligand-Target Pair | |
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