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PubMed code 15054115

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM86492
PNG
(CAS_170713-75-4 | NSC_6324645 | Nociceptin)
Show SMILES [#6]-[#6](-[#8])-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)
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0.180n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86491
PNG
(DiPOA | [8-(3,3-Diphenyl-propyl)-4-oxo-1-phenyl-1,...)
Show SMILES OC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(c3ccccc3)c3ccccc3)CC2)C1=O
Show InChI InChI=1S/C30H33N3O3/c34-28(35)22-32-23-33(26-14-8-3-9-15-26)30(29(32)36)17-20-31(21-18-30)19-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,34,35)
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0.760n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86258
PNG
(CAS_23552-18-3 | Morphine | NSC_5980)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
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2.06n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86493
PNG
(CAS_27943 | NALTREXONE-HCl | NSC_27943 | Naltrexon...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)CCC35O |TLB:22:23:7.12.13:5.4.18,THB:24:23:7.12.13:5.4.18|
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
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2.39n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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3.69n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86258
PNG
(CAS_23552-18-3 | Morphine | NSC_5980)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
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134n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86491
PNG
(DiPOA | [8-(3,3-Diphenyl-propyl)-4-oxo-1-phenyl-1,...)
Show SMILES OC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(c3ccccc3)c3ccccc3)CC2)C1=O
Show InChI InChI=1S/C30H33N3O3/c34-28(35)22-32-23-33(26-14-8-3-9-15-26)30(29(32)36)17-20-31(21-18-30)19-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,34,35)
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243n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM86491
PNG
(DiPOA | [8-(3,3-Diphenyl-propyl)-4-oxo-1-phenyl-1,...)
Show SMILES OC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(c3ccccc3)c3ccccc3)CC2)C1=O
Show InChI InChI=1S/C30H33N3O3/c34-28(35)22-32-23-33(26-14-8-3-9-15-26)30(29(32)36)17-20-31(21-18-30)19-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,34,35)
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286n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86260
PNG
(CAS_465-65-6 | NALOXONE | NSC_10064 | Naloxone(-))
Show SMILES Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(=O)CCC35O |TLB:21:22:7.11.12:5.4.17,THB:23:22:7.11.12:5.4.17|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2
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488n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86258
PNG
(CAS_23552-18-3 | Morphine | NSC_5980)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM86258
PNG
(CAS_23552-18-3 | Morphine | NSC_5980)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%