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Compile Data Set for Download or QSAR

Found 556 hits with Last Name = 'shimizu' and Initial = 'a'   
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
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254108
PNG
(CHEMBL4062470)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(N)=O |r|
Show InChI InChI=1S/C60H95N15O15/c1-7-33(3)48(50(61)81)72-52(83)39(22-15-25-64-60(62)63)68-55(86)42(30-47(79)80)70-58(89)49(34(4)8-2)73-57(88)44-23-16-26-74(44)46(78)31-65-51(82)35(5)66-53(84)41(29-38-20-13-10-14-21-38)69-56(87)45-24-17-27-75(45)59(90)43(32-76)71-54(85)40(67-36(6)77)28-37-18-11-9-12-19-37/h9,11-12,18-19,33-35,38-45,48-49,76H,7-8,10,13-17,20-32H2,1-6H3,(H2,61,81)(H,65,82)(H,66,84)(H,67,77)(H,68,86)(H,69,87)(H,70,89)(H,71,85)(H,72,83)(H,73,88)(H,79,80)(H4,62,63,64)/t33-,34-,35+,39-,40+,41-,42-,43-,44-,45+,48-,49-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0540n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254063
PNG
(CHEMBL4102000)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NCC(=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO |r|
Show InChI InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-53-94(182)151-65(7)100(188)154-76(34-35-91(129)179)108(196)166-85(56-174)103(191)149-54-96(184)153-78(43-62(2)3)115(203)171-97(185)51-146-89(119(207)163-82(48-92(130)180)113(201)168-86(57-175)116(204)162-81(46-67-23-14-11-15-24-67)112(200)157-73(27-18-39-143-125(135)136)106(194)165-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(170-118(206)88(59-177)169-117(205)87(58-176)167-107(195)74(28-19-40-144-126(137)138)155-105(193)72(26-17-38-142-124(133)134)156-111(199)79(44-63(4)5)160-101(189)70(128)55-173)120(208)161-80(45-66-21-12-10-13-22-66)102(190)148-50-93(181)147-52-95(183)152-71(25-16-37-141-123(131)132)104(192)159-77(36-42-212-8)109(197)164-83(49-98(186)187)114(202)158-75(110(198)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,146,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,147,181)(H,148,190)(H,149,191)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,188)(H,155,193)(H,156,199)(H,157,200)(H,158,202)(H,159,192)(H,160,189)(H,161,208)(H,162,204)(H,163,207)(H,164,197)(H,165,194)(H,166,196)(H,167,195)(H,168,201)(H,169,205)(H,170,206)(H,172,198)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)(H,171,185,203)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0580n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254062
PNG
(CHEMBL4060314)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CO)[C@@H](C)CC)C(=O)NC |r|
Show InChI InChI=1S/C62H99N15O19/c1-7-33(3)50(59(94)64-5)74-53(88)39(20-15-21-66-62(63)65-6)69-56(91)42(26-49(85)86)71-60(95)51(34(4)8-2)75-58(93)45-24-37(81)28-76(45)48(84)27-67-52(87)43(30-78)72-55(90)41(23-36-18-13-10-14-19-36)70-57(92)46-25-38(82)29-77(46)61(96)44(31-79)73-54(89)40(68-47(83)32-80)22-35-16-11-9-12-17-35/h9,11-12,16-17,33-34,36-46,50-51,78-82H,7-8,10,13-15,18-32H2,1-6H3,(H,64,94)(H,67,87)(H,68,83)(H,69,91)(H,70,92)(H,71,95)(H,72,90)(H,73,89)(H,74,88)(H,75,93)(H,85,86)(H3,63,65,66)/t33-,34-,37+,38-,39-,40+,41-,42-,43+,44-,45-,46+,50-,51-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0790n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254060
PNG
(CHEMBL4061379)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)NC |r|
Show InChI InChI=1S/C61H97N15O15/c1-8-34(3)49(58(89)64-7)73-52(83)40(23-16-26-65-61(62)63)69-55(86)43(31-48(80)81)71-59(90)50(35(4)9-2)74-57(88)45-24-17-27-75(45)47(79)32-66-51(82)36(5)67-53(84)42(30-39-21-14-11-15-22-39)70-56(87)46-25-18-28-76(46)60(91)44(33-77)72-54(85)41(68-37(6)78)29-38-19-12-10-13-20-38/h10,12-13,19-20,34-36,39-46,49-50,77H,8-9,11,14-18,21-33H2,1-7H3,(H,64,89)(H,66,82)(H,67,84)(H,68,78)(H,69,86)(H,70,87)(H,71,90)(H,72,85)(H,73,83)(H,74,88)(H,80,81)(H4,62,63,65)/t34-,35-,36+,40-,41+,42-,43-,44-,45-,46+,49-,50-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0870n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))
BDBM50254063
PNG
(CHEMBL4102000)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NCC(=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO |r|
Show InChI InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-53-94(182)151-65(7)100(188)154-76(34-35-91(129)179)108(196)166-85(56-174)103(191)149-54-96(184)153-78(43-62(2)3)115(203)171-97(185)51-146-89(119(207)163-82(48-92(130)180)113(201)168-86(57-175)116(204)162-81(46-67-23-14-11-15-24-67)112(200)157-73(27-18-39-143-125(135)136)106(194)165-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(170-118(206)88(59-177)169-117(205)87(58-176)167-107(195)74(28-19-40-144-126(137)138)155-105(193)72(26-17-38-142-124(133)134)156-111(199)79(44-63(4)5)160-101(189)70(128)55-173)120(208)161-80(45-66-21-12-10-13-22-66)102(190)148-50-93(181)147-52-95(183)152-71(25-16-37-141-123(131)132)104(192)159-77(36-42-212-8)109(197)164-83(49-98(186)187)114(202)158-75(110(198)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,146,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,147,181)(H,148,190)(H,149,191)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,188)(H,155,193)(H,156,199)(H,157,200)(H,158,202)(H,159,192)(H,160,189)(H,161,208)(H,162,204)(H,163,207)(H,164,197)(H,165,194)(H,166,196)(H,167,195)(H,168,201)(H,169,205)(H,170,206)(H,172,198)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)(H,171,185,203)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0940n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from human NPR-1 incubated for 2 hrs by top count method


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254096
PNG
(CHEMBL4099663)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)NC |r|
Show InChI InChI=1S/C62H99N15O17/c1-9-33(3)50(59(92)64-7)74-53(86)41(22-17-23-66-62(63)65-8)70-56(89)44(28-49(83)84)72-60(93)51(34(4)10-2)75-58(91)46-26-39(80)30-76(46)48(82)29-67-52(85)35(5)68-54(87)43(25-38-20-15-12-16-21-38)71-57(90)47-27-40(81)31-77(47)61(94)45(32-78)73-55(88)42(69-36(6)79)24-37-18-13-11-14-19-37/h11,13-14,18-19,33-35,38-47,50-51,78,80-81H,9-10,12,15-17,20-32H2,1-8H3,(H,64,92)(H,67,85)(H,68,87)(H,69,79)(H,70,89)(H,71,90)(H,72,93)(H,73,88)(H,74,86)(H,75,91)(H,83,84)(H3,63,65,66)/t33-,34-,35+,39+,40-,41-,42+,43-,44-,45-,46-,47+,50-,51-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0990n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254094
PNG
(CHEMBL4076904)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C56H90N16O15/c1-5-31(3)46(54(86)63-26-41(58)74)70-51(83)36(19-13-21-61-56(59)60)67-52(84)38(25-45(78)79)68-55(87)47(32(4)6-2)71-53(85)40-20-14-22-72(40)44(77)29-62-42(75)27-64-49(81)37(24-34-17-11-8-12-18-34)66-43(76)28-65-50(82)39(30-73)69-48(80)35(57)23-33-15-9-7-10-16-33/h7,9-10,15-16,31-32,34-40,46-47,73H,5-6,8,11-14,17-30,57H2,1-4H3,(H2,58,74)(H,62,75)(H,63,86)(H,64,81)(H,65,82)(H,66,76)(H,67,84)(H,68,87)(H,69,80)(H,70,83)(H,71,85)(H,78,79)(H4,59,60,61)/t31-,32-,35+,36-,37-,38-,39-,40-,46-,47-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254091
PNG
(CHEMBL4061318)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C57H95N19O15/c1-5-31(3)46(54(90)67-26-41(59)78)75-52(88)37(20-14-22-65-57(62)63)72-53(89)39(25-45(82)83)73-55(91)47(32(4)6-2)76-51(87)36(19-13-21-64-56(60)61)70-43(80)28-66-42(79)27-68-49(85)38(24-34-17-11-8-12-18-34)71-44(81)29-69-50(86)40(30-77)74-48(84)35(58)23-33-15-9-7-10-16-33/h7,9-10,15-16,31-32,34-40,46-47,77H,5-6,8,11-14,17-30,58H2,1-4H3,(H2,59,78)(H,66,79)(H,67,90)(H,68,85)(H,69,86)(H,70,80)(H,71,81)(H,72,89)(H,73,91)(H,74,84)(H,75,88)(H,76,87)(H,82,83)(H4,60,61,64)(H4,62,63,65)/t31-,32-,35+,36-,37-,38-,39-,40-,46-,47-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254106
PNG
(CHEMBL4084160)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C60H99N19O15/c1-5-33(3)48(56(92)70-29-44(62)81)77-53(89)39(21-14-24-68-60(65)66)73-54(90)41(28-47(84)85)75-57(93)49(34(4)6-2)78-52(88)38(20-13-23-67-59(63)64)72-46(83)31-69-45(82)30-71-51(87)40(27-36-18-11-8-12-19-36)74-55(91)43-22-15-25-79(43)58(94)42(32-80)76-50(86)37(61)26-35-16-9-7-10-17-35/h7,9-10,16-17,33-34,36-43,48-49,80H,5-6,8,11-15,18-32,61H2,1-4H3,(H2,62,81)(H,69,82)(H,70,92)(H,71,87)(H,72,83)(H,73,90)(H,74,91)(H,75,93)(H,76,86)(H,77,89)(H,78,88)(H,84,85)(H4,63,64,67)(H4,65,66,68)/t33-,34-,37+,38-,39-,40-,41-,42-,43+,48-,49-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254061
PNG
(CHEMBL4089530)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)NC |r|
Show InChI InChI=1S/C62H99N15O15/c1-9-35(3)50(59(90)64-7)74-53(84)41(24-17-27-66-62(63)65-8)70-56(87)44(32-49(81)82)72-60(91)51(36(4)10-2)75-58(89)46-25-18-28-76(46)48(80)33-67-52(83)37(5)68-54(85)43(31-40-22-15-12-16-23-40)71-57(88)47-26-19-29-77(47)61(92)45(34-78)73-55(86)42(69-38(6)79)30-39-20-13-11-14-21-39/h11,13-14,20-21,35-37,40-47,50-51,78H,9-10,12,15-19,22-34H2,1-8H3,(H,64,90)(H,67,83)(H,68,85)(H,69,79)(H,70,87)(H,71,88)(H,72,91)(H,73,86)(H,74,84)(H,75,89)(H,81,82)(H3,63,65,66)/t35-,36-,37+,41-,42+,43-,44-,45-,46-,47+,50-,51-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254095
PNG
(CHEMBL4084171)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C62H98N16O16/c1-7-34(3)50(59(92)67-31-47(63)81)75-53(86)40(22-15-25-66-62(64)65)71-56(89)43(30-49(83)84)73-60(93)51(35(4)8-2)76-58(91)45-23-16-26-77(45)48(82)32-68-52(85)36(5)69-54(87)42(29-39-20-13-10-14-21-39)72-57(90)46-24-17-27-78(46)61(94)44(33-79)74-55(88)41(70-37(6)80)28-38-18-11-9-12-19-38/h9,11-12,18-19,34-36,39-46,50-51,79H,7-8,10,13-17,20-33H2,1-6H3,(H2,63,81)(H,67,92)(H,68,85)(H,69,87)(H,70,80)(H,71,89)(H,72,90)(H,73,93)(H,74,88)(H,75,86)(H,76,91)(H,83,84)(H4,64,65,66)/t34-,35-,36+,40-,41+,42-,43-,44-,45-,46+,50-,51-/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254089
PNG
(CHEMBL4081715)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C66H112N24O18/c1-5-35(3)52(62(107)79-29-47(68)93)89-58(103)41(22-15-25-77-66(73)74)84-60(105)44(28-51(97)98)86-63(108)53(36(4)6-2)90-57(102)40(21-14-24-76-65(71)72)82-49(95)31-78-48(94)30-80-55(100)42(26-37-16-9-7-10-17-37)83-50(96)32-81-56(101)45(33-91)88-59(104)43(27-38-18-11-8-12-19-38)85-61(106)46(34-92)87-54(99)39(67)20-13-23-75-64(69)70/h8,11-12,18-19,35-37,39-46,52-53,91-92H,5-7,9-10,13-17,20-34,67H2,1-4H3,(H2,68,93)(H,78,94)(H,79,107)(H,80,100)(H,81,101)(H,82,95)(H,83,96)(H,84,105)(H,85,106)(H,86,108)(H,87,99)(H,88,104)(H,89,103)(H,90,102)(H,97,98)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t35-,36-,39-,40-,41-,42-,43-,44-,45-,46-,52-,53-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254093
PNG
(CHEMBL4071568)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C58H97N19O15/c1-6-31(3)46(55(91)67-27-42(60)79)76-52(88)38(21-15-23-66-58(63)64)73-54(90)40(26-45(82)83)74-56(92)47(32(4)7-2)77-51(87)37(20-14-22-65-57(61)62)71-43(80)28-68-48(84)33(5)70-53(89)39(25-35-18-12-9-13-19-35)72-44(81)29-69-50(86)41(30-78)75-49(85)36(59)24-34-16-10-8-11-17-34/h8,10-11,16-17,31-33,35-41,46-47,78H,6-7,9,12-15,18-30,59H2,1-5H3,(H2,60,79)(H,67,91)(H,68,84)(H,69,86)(H,70,89)(H,71,80)(H,72,81)(H,73,90)(H,74,92)(H,75,85)(H,76,88)(H,77,87)(H,82,83)(H4,61,62,65)(H4,63,64,66)/t31-,32-,33+,36+,37-,38-,39-,40-,41-,46-,47-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254081
PNG
(CHEMBL4103929)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r|
Show InChI InChI=1S/C64H106N24O20S2/c1-6-31(3)48-59(105)77-26-45(92)78-33(5)50(96)86-43(61(107)108)30-110-109-29-42(85-57(103)41(28-90)84-56(102)40(27-89)83-51(97)35(65)16-11-19-72-62(66)67)58(104)81-38(22-34-14-9-8-10-15-34)52(98)76-24-44(91)75-25-46(93)79-36(17-12-20-73-63(68)69)53(99)88-49(32(4)7-2)60(106)82-39(23-47(94)95)55(101)80-37(54(100)87-48)18-13-21-74-64(70)71/h8-10,14-15,31-33,35-43,48-49,89-90H,6-7,11-13,16-30,65H2,1-5H3,(H,75,91)(H,76,98)(H,77,105)(H,78,92)(H,79,93)(H,80,101)(H,81,104)(H,82,106)(H,83,97)(H,84,102)(H,85,103)(H,86,96)(H,87,100)(H,88,99)(H,94,95)(H,107,108)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t31-,32-,33-,35-,36-,37-,38-,39-,40-,41-,42-,43-,48-,49-/m0/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254088
PNG
(CHEMBL4088351)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C60H100N20O17/c1-5-32(3)48(57(96)70-26-43(62)83)79-54(93)38(20-14-22-68-60(65)66)75-56(95)41(25-47(87)88)77-58(97)49(33(4)6-2)80-53(92)37(19-13-21-67-59(63)64)73-45(85)28-69-44(84)27-71-51(90)39(23-34-15-9-7-10-16-34)74-46(86)29-72-52(91)42(31-82)78-55(94)40(76-50(89)36(61)30-81)24-35-17-11-8-12-18-35/h8,11-12,17-18,32-34,36-42,48-49,81-82H,5-7,9-10,13-16,19-31,61H2,1-4H3,(H2,62,83)(H,69,84)(H,70,96)(H,71,90)(H,72,91)(H,73,85)(H,74,86)(H,75,95)(H,76,89)(H,77,97)(H,78,94)(H,79,93)(H,80,92)(H,87,88)(H4,63,64,67)(H4,65,66,68)/t32-,33-,36-,37-,38-,39-,40-,41-,42-,48-,49-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha/subunit beta-1/subunit beta-2


(Mus musculus)
BDBM50257179
PNG
(CHEMBL2325622)
Show SMILES CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H17ClF2N6O3S2/c1-29-9-13(10-29)30-17(4-5-26-30)14-6-12(22)2-3-18(14)33-19-7-16(24)20(8-15(19)23)35(31,32)28-21-25-11-27-34-21/h2-8,11,13H,9-10H2,1H3,(H,25,27,28)
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n/an/a 0.550n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 0.650n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254097
PNG
(CHEMBL4082715)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C64H108N24O20S2/c1-6-31(3)48(59(105)77-26-45(92)78-33(5)50(96)86-43(30-110)61(107)108)87-54(100)37(18-13-21-74-64(70)71)80-55(101)39(23-47(94)95)82-60(106)49(32(4)7-2)88-53(99)36(17-12-20-73-63(68)69)79-46(93)25-75-44(91)24-76-52(98)38(22-34-14-9-8-10-15-34)81-58(104)42(29-109)85-57(103)41(28-90)84-56(102)40(27-89)83-51(97)35(65)16-11-19-72-62(66)67/h8-10,14-15,31-33,35-43,48-49,89-90,109-110H,6-7,11-13,16-30,65H2,1-5H3,(H,75,91)(H,76,98)(H,77,105)(H,78,92)(H,79,93)(H,80,101)(H,81,104)(H,82,106)(H,83,97)(H,84,102)(H,85,103)(H,86,96)(H,87,100)(H,88,99)(H,94,95)(H,107,108)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t31-,32-,33-,35-,36-,37-,38-,39-,40-,41-,42-,43-,48-,49-/m0/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50239749
PNG
(2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...)
Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)
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n/an/a 0.660n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50239749
PNG
(2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...)
Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)
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n/an/a 0.660n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29994
PNG
(2-Cyclohexylcarbonylbenzimidazole, 7e)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(CC)CC[C@@](C)(O)CC1 |r,wU:20.23,25.29,wD:20.22,25.28,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;6.37,4.44,;5.83,2.84,;6.66,1.54,;5.96,.17,;5.96,-1.37,;7.45,-.23,;4.42,.1,;3.59,1.39,)|
Show InChI InChI=1S/C23H33ClN4O2/c1-4-23(8-6-22(3,30)7-9-23)20(29)21-25-17-14-16(24)19(15-18(17)26-21)28-12-10-27(5-2)11-13-28/h14-15,30H,4-13H2,1-3H3,(H,25,26)/t22-,23-
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n/an/a 0.800n/a 2.40n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3096-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.023
BindingDB Entry DOI: 10.7270/Q24J0CFR
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29988
PNG
(benzimidazole analogue, 7h | benzimidazole derivat...)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;6.09,-2.49,;8.33,-1.05,;9.17,-2.34,;9.04,.32,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C23H34ClN5OS/c1-5-28-10-12-29(13-11-28)21-15-20-19(14-18(21)24)25-22(26-20)31-23(3)8-6-17(7-9-23)27(4)16(2)30/h14-15,17H,5-13H2,1-4H3,(H,25,26)/t17-,23-
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n/an/a 0.810n/a 1.30n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29988
PNG
(benzimidazole analogue, 7h | benzimidazole derivat...)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;6.09,-2.49,;8.33,-1.05,;9.17,-2.34,;9.04,.32,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C23H34ClN5OS/c1-5-28-10-12-29(13-11-28)21-15-20-19(14-18(21)24)25-22(26-20)31-23(3)8-6-17(7-9-23)27(4)16(2)30/h14-15,17H,5-13H2,1-4H3,(H,25,26)/t17-,23-
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n/an/a 0.810n/an/an/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3096-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.023
BindingDB Entry DOI: 10.7270/Q24J0CFR
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254092
PNG
(CHEMBL4062458)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C59H97N19O16/c1-6-32(3)48(56(93)68-27-43(60)81)77-53(90)38(21-15-23-66-59(63)64)74-55(92)41(26-47(85)86)75-57(94)49(33(4)7-2)78-52(89)37(20-14-22-65-58(61)62)72-45(83)29-67-44(82)28-69-50(87)39(24-35-16-10-8-11-17-35)73-46(84)30-70-51(88)42(31-79)76-54(91)40(71-34(5)80)25-36-18-12-9-13-19-36/h9,12-13,18-19,32-33,35,37-42,48-49,79H,6-8,10-11,14-17,20-31H2,1-5H3,(H2,60,81)(H,67,82)(H,68,93)(H,69,87)(H,70,88)(H,71,80)(H,72,83)(H,73,84)(H,74,92)(H,75,94)(H,76,91)(H,77,90)(H,78,89)(H,85,86)(H4,61,62,65)(H4,63,64,66)/t32-,33-,37-,38-,39-,40+,41-,42-,48-,49-/m0/s1
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n/an/a 0.930n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30012
PNG
(benzimidazole analogue, 7k)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)C(=O)NC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;8.54,-.63,;9.57,-1.79,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C22H32ClN5OS/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-21(26-18)30-22(2)7-5-15(6-8-22)20(29)24-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22-
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n/an/a 1n/a 1.10n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30017
PNG
(benzimidazole analogue, 7p)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnco3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.69,-2.44,;8.01,-3.24,;9.17,-2.23,;8.57,-.81,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C22H29ClN6OS/c1-3-28-8-10-29(11-9-28)19-13-18-17(12-16(19)23)25-21(26-18)31-22(2)6-4-15(5-7-22)20-27-24-14-30-20/h12-15H,3-11H2,1-2H3,(H,25,26)/t15-,22-
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n/an/a 1.10n/a 0.590n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254087
PNG
(CHEMBL4075426)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C57H95N19O15/c1-5-31(3)46(54(90)67-26-41(59)78)75-52(88)37(20-14-22-65-57(62)63)72-53(89)39(25-45(82)83)73-55(91)47(32(4)6-2)76-51(87)36(19-13-21-64-56(60)61)70-43(80)28-66-42(79)27-68-49(85)38(24-34-17-11-8-12-18-34)71-44(81)29-69-50(86)40(30-77)74-48(84)35(58)23-33-15-9-7-10-16-33/h7,9-10,15-16,31-32,34-40,46-47,77H,5-6,8,11-14,17-30,58H2,1-4H3,(H2,59,78)(H,66,79)(H,67,90)(H,68,85)(H,69,86)(H,70,80)(H,71,81)(H,72,89)(H,73,91)(H,74,84)(H,75,88)(H,76,87)(H,82,83)(H4,60,61,64)(H4,62,63,65)/t31-,32-,35-,36-,37-,38-,39-,40-,46-,47-/m0/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50239749
PNG
(2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...)
Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)
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n/an/a 1.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC from human ORL1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50239749
PNG
(2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...)
Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)
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Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30011
PNG
(benzimidazole analogue, 7j)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N3CCCC3=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.75,-2.46,;8.11,-3.19,;9.22,-2.13,;8.56,-.74,;9.3,.61,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C24H34ClN5OS/c1-3-28-11-13-29(14-12-28)21-16-20-19(15-18(21)25)26-23(27-20)32-24(2)8-6-17(7-9-24)30-10-4-5-22(30)31/h15-17H,3-14H2,1-2H3,(H,26,27)/t17-,24-
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n/an/a 1.40n/a 0.550n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29992
PNG
(2-Cyclohexylcarbonylbenzimidazole, 7c)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(C)CC[C@@](C)(O)CC1 |r,wU:20.23,24.28,wD:20.22,24.27,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;5.83,2.84,;6.66,1.54,;5.96,.17,;5.96,-1.37,;7.45,-.23,;4.42,.1,;3.59,1.39,)|
Show InChI InChI=1S/C22H31ClN4O2/c1-4-26-9-11-27(12-10-26)18-14-17-16(13-15(18)23)24-20(25-17)19(28)21(2)5-7-22(3,29)8-6-21/h13-14,29H,4-12H2,1-3H3,(H,24,25)/t21-,22-
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n/an/a 1.40n/a 1.30n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3096-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.023
BindingDB Entry DOI: 10.7270/Q24J0CFR
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50254098
PNG
(CHEMBL4098363)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C46H83N17O12S/c1-5-24(3)36(43(74)56-20-32(48)64)62-41(72)29(15-11-17-54-46(51)52)59-42(73)31(19-35(67)68)61-44(75)37(25(4)6-2)63-40(71)28(14-10-16-53-45(49)50)58-34(66)22-55-33(65)21-57-39(70)30(60-38(69)27(47)23-76)18-26-12-8-7-9-13-26/h24-31,36-37,76H,5-23,47H2,1-4H3,(H2,48,64)(H,55,65)(H,56,74)(H,57,70)(H,58,66)(H,59,73)(H,60,69)(H,61,75)(H,62,72)(H,63,71)(H,67,68)(H4,49,50,53)(H4,51,52,54)/t24-,25-,27-,28-,29-,30-,31-,36-,37-/m0/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30016
PNG
(benzimidazole analogue, 7o)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nc(C)no3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.57,-.82,;9.16,-2.24,;10.66,-2.6,;7.99,-3.24,;6.68,-2.44,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C23H31ClN6OS/c1-4-29-9-11-30(12-10-29)20-14-19-18(13-17(20)24)26-22(27-19)32-23(3)7-5-16(6-8-23)21-25-15(2)28-31-21/h13-14,16H,4-12H2,1-3H3,(H,26,27)/t16-,23-
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n/an/a 1.70n/a 0.910n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50373360
PNG
(CHEMBL263917)
Show SMILES CC1(CCCCC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C20H29ClN4OS/c1-20(5-3-2-4-6-20)27-19-22-16-13-15(21)18(14-17(16)23-19)25-9-7-24(8-10-25)11-12-26/h13-14,26H,2-12H2,1H3,(H,22,23)
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n/an/a 1.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50373360
PNG
(CHEMBL263917)
Show SMILES CC1(CCCCC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C20H29ClN4OS/c1-20(5-3-2-4-6-20)27-19-22-16-13-15(21)18(14-17(16)23-19)25-9-7-24(8-10-25)11-12-26/h13-14,26H,2-12H2,1H3,(H,22,23)
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Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC from human ORL1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30018
PNG
(benzimidazole analogue, 7q)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnc(C)o3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.69,-2.44,;8.01,-3.24,;9.17,-2.23,;10.67,-2.58,;8.57,-.81,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C23H31ClN6OS/c1-4-29-9-11-30(12-10-29)20-14-19-18(13-17(20)24)25-22(26-19)32-23(3)7-5-16(6-8-23)21-28-27-15(2)31-21/h13-14,16H,4-12H2,1-3H3,(H,25,26)/t16-,23-
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n/an/a 1.80n/a 7.10n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30008
PNG
(benzimidazole analogue, 7g)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;7.57,-3.56,;5.04,-2.71,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C22H32ClN5OS/c1-4-27-9-11-28(12-10-27)20-14-19-18(13-17(20)23)25-21(26-19)30-22(3)7-5-16(6-8-22)24-15(2)29/h13-14,16H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t16-,22-
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n/an/a 1.90n/a 1.10n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Homo sapiens)
BDBM50257179
PNG
(CHEMBL2325622)
Show SMILES CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H17ClF2N6O3S2/c1-29-9-13(10-29)30-17(4-5-26-30)14-6-12(22)2-3-18(14)33-19-7-16(24)20(8-15(19)23)35(31,32)28-21-25-11-27-34-21/h2-8,11,13H,9-10H2,1H3,(H,25,27,28)
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n/an/a 1.90n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29990
PNG
(2-Cyclohexylcarbonylbenzimidazole, 7b)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(nc2cc1C)C(=O)[C@@]1(C)CC[C@@H](CC1)NC(=O)OC |r,wU:20.23,24.30,wD:20.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,)|
Show InChI InChI=1S/C24H35N5O3/c1-5-28-10-12-29(13-11-28)20-15-19-18(14-16(20)2)26-22(27-19)21(30)24(3)8-6-17(7-9-24)25-23(31)32-4/h14-15,17H,5-13H2,1-4H3,(H,25,31)(H,26,27)/t17-,24-
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n/an/a 2n/a 5.30n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3096-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.023
BindingDB Entry DOI: 10.7270/Q24J0CFR
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50373365
PNG
(CHEMBL258710)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCNCC1
Show InChI InChI=1S/C16H23ClN4S/c1-3-11(4-2)22-16-19-13-9-12(17)15(10-14(13)20-16)21-7-5-18-6-8-21/h9-11,18H,3-8H2,1-2H3,(H,19,20)
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n/an/a 2.10n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC from human ORL1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30010
PNG
(benzimidazole analogue, 7i)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NS(C)(=O)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;7.57,-3.56,;5.06,-2,;5.78,-3.74,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C21H32ClN5O2S2/c1-4-26-9-11-27(12-10-26)19-14-18-17(13-16(19)22)23-20(24-18)30-21(2)7-5-15(6-8-21)25-31(3,28)29/h13-15,25H,4-12H2,1-3H3,(H,23,24)/t15-,21-
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n/an/a 2.10n/a 1.80n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30014
PNG
(benzimidazole analogue, 7m)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnn(C)n3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.68,-2.44,;7.99,-3.24,;9.16,-2.24,;10.66,-2.6,;8.57,-.82,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C22H31ClN8S/c1-4-30-9-11-31(12-10-30)19-14-18-17(13-16(19)23)24-21(25-18)32-22(2)7-5-15(6-8-22)20-26-28-29(3)27-20/h13-15H,4-12H2,1-3H3,(H,24,25)/t15-,22-
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n/an/a 2.20n/a 0.900n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29987
PNG
(benzimidazole analogue, 7e | benzimidazole derivat...)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C22H32ClN5O2S/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-20(26-18)31-22(2)7-5-15(6-8-22)24-21(29)30-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22-
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n/an/a 2.40n/a 0.720n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29987
PNG
(benzimidazole analogue, 7e | benzimidazole derivat...)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C22H32ClN5O2S/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-20(26-18)31-22(2)7-5-15(6-8-22)24-21(29)30-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22-
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n/an/a 2.40n/a 0.720n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3096-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.023
BindingDB Entry DOI: 10.7270/Q24J0CFR
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50373362
PNG
(CHEMBL263919)
Show SMILES CCC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C18H27ClN4OS/c1-4-18(2,3)25-17-20-14-11-13(19)16(12-15(14)21-17)23-7-5-22(6-8-23)9-10-24/h11-12,24H,4-10H2,1-3H3,(H,20,21)
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n/an/a 2.5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 2.60n/a 0.650n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50239745
PNG
(2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C18H27ClN4OS/c1-3-13(4-2)25-18-20-15-11-14(19)17(12-16(15)21-18)23-7-5-22(6-8-23)9-10-24/h11-13,24H,3-10H2,1-2H3,(H,20,21)
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n/an/a 3.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
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