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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'arduin' and Initial = 'm'   
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))
BDBM50475328
PNG
(CHEMBL414782)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7](-[#7])-[#7])-[#6](=O)-[#7]-[#7]
Show InChI InChI=1S/C82H140FN35O21/c1-43(104-62(123)41-103-79(139)65(45(3)120)116-76(136)57(37-47-24-26-48(83)27-25-47)106-63(124)40-101-61(122)39-102-68(128)49(87)36-46-16-5-4-6-17-46)66(126)107-53(21-13-33-98-80(89)90)70(130)111-52(20-9-12-32-86)74(134)115-59(42-119)77(137)105-44(2)67(127)108-54(22-14-34-99-81(91)92)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(93)94)72(132)110-51(19-8-11-31-85)73(133)114-58(38-60(88)121)75(135)113-56(78(138)117-95)28-29-64(125)118(96)97/h4-6,16-17,24-27,43-45,49-59,65,119-120H,7-15,18-23,28-42,84-87,95-97H2,1-3H3,(H2,88,121)(H,101,122)(H,102,128)(H,103,139)(H,104,123)(H,105,137)(H,106,124)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
0.00500n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475327
PNG
(CHEMBL410653)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7](-[#7])-[#7])-[#6](=O)-[#7]-[#7]
Show InChI InChI=1S/C82H141N35O21/c1-44(103-62(122)42-102-79(138)65(46(3)119)115-76(135)57(38-48-21-8-5-9-22-48)105-63(123)41-100-61(121)40-101-68(127)49(86)37-47-19-6-4-7-20-47)66(125)106-53(26-16-34-97-80(88)89)70(129)110-52(25-12-15-33-85)74(133)114-59(43-118)77(136)104-45(2)67(126)107-54(27-17-35-98-81(90)91)71(130)108-50(23-10-13-31-83)69(128)111-55(28-18-36-99-82(92)93)72(131)109-51(24-11-14-32-84)73(132)113-58(39-60(87)120)75(134)112-56(78(137)116-94)29-30-64(124)117(95)96/h4-9,19-22,44-46,49-59,65,118-119H,10-18,23-43,83-86,94-96H2,1-3H3,(H2,87,120)(H,100,121)(H,101,127)(H,102,138)(H,103,122)(H,104,136)(H,105,123)(H,106,125)(H,107,126)(H,108,130)(H,109,131)(H,110,129)(H,111,128)(H,112,134)(H,113,132)(H,114,133)(H,115,135)(H,116,137)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
0.00700n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475330
PNG
(CHEMBL442297)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7](-[#7])-[#7])-[#6](=O)-[#7]-[#7]
Show InChI InChI=1S/C82H142FN35O20/c1-44(104-63(123)42-103-79(138)66(46(3)120)116-76(135)58(37-48-24-26-49(83)27-25-48)106-64(124)41-102-62(122)40-98-39-50(87)36-47-16-5-4-6-17-47)67(126)107-54(21-13-33-99-80(89)90)70(129)111-53(20-9-12-32-86)74(133)115-60(43-119)77(136)105-45(2)68(127)108-55(22-14-34-100-81(91)92)71(130)109-51(18-7-10-30-84)69(128)112-56(23-15-35-101-82(93)94)72(131)110-52(19-8-11-31-85)73(132)114-59(38-61(88)121)75(134)113-57(78(137)117-95)28-29-65(125)118(96)97/h4-6,16-17,24-27,44-46,50-60,66,98,119-120H,7-15,18-23,28-43,84-87,95-97H2,1-3H3,(H2,88,121)(H,102,122)(H,103,138)(H,104,123)(H,105,136)(H,106,124)(H,107,126)(H,108,127)(H,109,130)(H,110,131)(H,111,129)(H,112,128)(H,113,134)(H,114,132)(H,115,133)(H,116,135)(H,117,137)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)/t44-,45-,46+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475333
PNG
(CHEMBL264846)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C79H129FN28O21/c1-40(2)32-54(73(125)97-43(5)67(119)105-56(35-59(85)112)74(126)100-49(64(86)116)26-27-58(84)111)106-71(123)50(18-10-12-28-81)103-70(122)53(21-15-31-92-79(89)90)102-66(118)42(4)98-76(128)57(39-109)107-72(124)51(19-11-13-29-82)104-69(121)52(20-14-30-91-78(87)88)101-65(117)41(3)96-61(114)38-95-77(129)63(44(6)110)108-75(127)55(34-46-22-24-47(80)25-23-46)99-62(115)37-93-60(113)36-94-68(120)48(83)33-45-16-8-7-9-17-45/h7-9,16-17,22-25,40-44,48-57,63,109-110H,10-15,18-21,26-39,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,129)(H,96,114)(H,97,125)(H,98,128)(H,99,115)(H,100,126)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,119)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t41-,42-,43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
0.0220n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475331
PNG
(CHEMBL411649)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7](-[#7])-[#7])-[#6](=O)-[#7]-[#7]
Show InChI InChI=1S/C82H140FN35O21/c1-44(104-63(124)42-103-79(139)66(46(3)120)116-76(136)57(36-47-24-26-49(83)27-25-47)106-64(125)41-102-62(123)40-101-61(122)39-97-38-48-16-5-4-6-17-48)67(127)107-53(21-13-33-98-80(88)89)70(130)111-52(20-9-12-32-86)74(134)115-59(43-119)77(137)105-45(2)68(128)108-54(22-14-34-99-81(90)91)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(92)93)72(132)110-51(19-8-11-31-85)73(133)114-58(37-60(87)121)75(135)113-56(78(138)117-94)28-29-65(126)118(95)96/h4-6,16-17,24-27,44-46,50-59,66,97,119-120H,7-15,18-23,28-43,84-86,94-96H2,1-3H3,(H2,87,121)(H,101,122)(H,102,123)(H,103,139)(H,104,124)(H,105,137)(H,106,125)(H,107,127)(H,108,128)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,88,89,98)(H4,90,91,99)(H4,92,93,100)/t44-,45-,46+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
0.0250n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475325
PNG
(CHEMBL262544)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7](-[#7])-[#7])-[#6](=O)-[#7]-[#7]
Show InChI InChI=1S/C82H143N35O20/c1-45(103-63(122)43-102-79(137)66(47(3)119)115-76(134)58(38-49-21-8-5-9-22-49)105-64(123)42-101-62(121)41-97-40-50(86)37-48-19-6-4-7-20-48)67(125)106-54(26-16-34-98-80(88)89)70(128)110-53(25-12-15-33-85)74(132)114-60(44-118)77(135)104-46(2)68(126)107-55(27-17-35-99-81(90)91)71(129)108-51(23-10-13-31-83)69(127)111-56(28-18-36-100-82(92)93)72(130)109-52(24-11-14-32-84)73(131)113-59(39-61(87)120)75(133)112-57(78(136)116-94)29-30-65(124)117(95)96/h4-9,19-22,45-47,50-60,66,97,118-119H,10-18,23-44,83-86,94-96H2,1-3H3,(H2,87,120)(H,101,121)(H,102,137)(H,103,122)(H,104,135)(H,105,123)(H,106,125)(H,107,126)(H,108,129)(H,109,130)(H,110,128)(H,111,127)(H,112,133)(H,113,131)(H,114,132)(H,115,134)(H,116,136)(H4,88,89,98)(H4,90,91,99)(H4,92,93,100)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0320n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475329
PNG
(CHEMBL263588)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C79H131FN28O20/c1-41(2)32-55(73(124)97-44(5)68(119)105-57(35-60(85)112)74(125)100-50(65(86)116)26-27-59(84)111)106-71(122)51(18-10-12-28-81)103-70(121)54(21-15-31-93-79(89)90)102-67(118)43(4)98-76(127)58(40-109)107-72(123)52(19-11-13-29-82)104-69(120)53(20-14-30-92-78(87)88)101-66(117)42(3)96-62(114)39-95-77(128)64(45(6)110)108-75(126)56(34-47-22-24-48(80)25-23-47)99-63(115)38-94-61(113)37-91-36-49(83)33-46-16-8-7-9-17-46/h7-9,16-17,22-25,41-45,49-58,64,91,109-110H,10-15,18-21,26-40,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,94,113)(H,95,128)(H,96,114)(H,97,124)(H,98,127)(H,99,115)(H,100,125)(H,101,117)(H,102,118)(H,103,121)(H,104,120)(H,105,119)(H,106,122)(H,107,123)(H,108,126)(H4,87,88,92)(H4,89,90,93)/t42-,43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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0.0480n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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Article
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0.0490n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475326
PNG
(CHEMBL410145)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#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@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7](-[#7])-[#7])-[#6](=O)-[#7]-[#7]
Show InChI InChI=1S/C82H141N35O21/c1-45(103-63(123)43-102-79(138)66(47(3)119)115-76(135)57(37-48-19-6-4-7-20-48)105-64(124)42-101-62(122)41-100-61(121)40-96-39-49-21-8-5-9-22-49)67(126)106-53(26-16-34-97-80(87)88)70(129)110-52(25-12-15-33-85)74(133)114-59(44-118)77(136)104-46(2)68(127)107-54(27-17-35-98-81(89)90)71(130)108-50(23-10-13-31-83)69(128)111-55(28-18-36-99-82(91)92)72(131)109-51(24-11-14-32-84)73(132)113-58(38-60(86)120)75(134)112-56(78(137)116-93)29-30-65(125)117(94)95/h4-9,19-22,45-47,50-59,66,96,118-119H,10-18,23-44,83-85,93-95H2,1-3H3,(H2,86,120)(H,100,121)(H,101,122)(H,102,138)(H,103,123)(H,104,136)(H,105,124)(H,106,126)(H,107,127)(H,108,130)(H,109,131)(H,110,129)(H,111,128)(H,112,134)(H,113,132)(H,114,133)(H,115,135)(H,116,137)(H4,87,88,97)(H4,89,90,98)(H4,91,92,99)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-/m0/s1
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0.129n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50472747
PNG
(CHEMBL414767)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C79H132N28O20/c1-42(2)33-55(73(123)96-45(5)68(118)104-57(36-60(84)111)74(124)99-50(65(85)115)27-28-59(83)110)105-71(121)51(23-13-15-29-80)102-70(120)54(26-18-32-92-79(88)89)101-67(117)44(4)97-76(126)58(41-108)106-72(122)52(24-14-16-30-81)103-69(119)53(25-17-31-91-78(86)87)100-66(116)43(3)95-62(113)40-94-77(127)64(46(6)109)107-75(125)56(35-48-21-11-8-12-22-48)98-63(114)39-93-61(112)38-90-37-49(82)34-47-19-9-7-10-20-47/h7-12,19-22,42-46,49-58,64,90,108-109H,13-18,23-41,80-82H2,1-6H3,(H2,83,110)(H2,84,111)(H2,85,115)(H,93,112)(H,94,127)(H,95,113)(H,96,123)(H,97,126)(H,98,114)(H,99,124)(H,100,116)(H,101,117)(H,102,120)(H,103,119)(H,104,118)(H,105,121)(H,106,122)(H,107,125)(H4,86,87,91)(H4,88,89,92)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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0.129n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475332
PNG
(CHEMBL413944)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C79H129FN28O21/c1-41(2)32-54(73(125)97-44(5)68(120)105-56(34-59(84)112)74(126)100-49(65(85)117)26-27-58(83)111)106-71(123)50(18-10-12-28-81)103-70(122)53(21-15-31-92-79(88)89)102-67(119)43(4)98-76(128)57(40-109)107-72(124)51(19-11-13-29-82)104-69(121)52(20-14-30-91-78(86)87)101-66(118)42(3)96-62(115)39-95-77(129)64(45(6)110)108-75(127)55(33-46-22-24-48(80)25-23-46)99-63(116)38-94-61(114)37-93-60(113)36-90-35-47-16-8-7-9-17-47/h7-9,16-17,22-25,41-45,49-57,64,90,109-110H,10-15,18-21,26-40,81-82H2,1-6H3,(H2,83,111)(H2,84,112)(H2,85,117)(H,93,113)(H,94,114)(H,95,129)(H,96,115)(H,97,125)(H,98,128)(H,99,116)(H,100,126)(H,101,118)(H,102,119)(H,103,122)(H,104,121)(H,105,120)(H,106,123)(H,107,124)(H,108,127)(H4,86,87,91)(H4,88,89,92)/t42-,43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,64-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50472746
PNG
(CHEMBL411621)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C79H130N28O21/c1-42(2)33-54(73(124)96-45(5)68(119)104-56(35-59(83)111)74(125)99-49(65(84)116)27-28-58(82)110)105-71(122)50(23-13-15-29-80)102-70(121)53(26-18-32-91-79(87)88)101-67(118)44(4)97-76(127)57(41-108)106-72(123)51(24-14-16-30-81)103-69(120)52(25-17-31-90-78(85)86)100-66(117)43(3)95-62(114)40-94-77(128)64(46(6)109)107-75(126)55(34-47-19-9-7-10-20-47)98-63(115)39-93-61(113)38-92-60(112)37-89-36-48-21-11-8-12-22-48/h7-12,19-22,42-46,49-57,64,89,108-109H,13-18,23-41,80-81H2,1-6H3,(H2,82,110)(H2,83,111)(H2,84,116)(H,92,112)(H,93,113)(H,94,128)(H,95,114)(H,96,124)(H,97,127)(H,98,115)(H,99,125)(H,100,117)(H,101,118)(H,102,121)(H,103,120)(H,104,119)(H,105,122)(H,106,123)(H,107,126)(H4,85,86,90)(H4,87,88,91)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,64-/m0/s1
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0.417n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610140
PNG
(CHEMBL5266817)
Show SMILES [H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1cc(Cl)cc(Cl)c1 |r|
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610140
PNG
(CHEMBL5266817)
Show SMILES [H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1cc(Cl)cc(Cl)c1 |r|
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610128
PNG
(CHEMBL5284310)
Show SMILES CN(C1COCCN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)c1ncnc2[nH]ccc12
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610136
PNG
(CHEMBL5274179)
Show SMILES C[C@@H]1[C@@H](CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610137
PNG
(CHEMBL5269111)
Show SMILES CC1C(CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)N(C)c1ncnc2[nH]ccc12
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n/an/a 2n/an/an/an/an/an/a


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Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610139
PNG
(CHEMBL5287698)
Show SMILES [H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1cc(Cl)cc(c1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610138
PNG
(CHEMBL5268773)
Show SMILES [H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1cc(F)cc(Cl)c1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610134
PNG
(CHEMBL5280787)
Show SMILES CC1C(CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610129
PNG
(CHEMBL5276931)
Show SMILES CN([C@@H]1CCCN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)c1ncnc2[nH]ccc12 |r|
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n/an/a 5n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610127
PNG
(CHEMBL5269279)
Show SMILES CN(C1COCCN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)c1ncnc2[nH]ncc12
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n/an/a 7n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610126
PNG
(CHEMBL5266943)
Show SMILES CN(C1CCCCN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)c1ncnc2[nH]ccc12
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n/an/a 9n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50588008
PNG
(CHEMBL5196798)
Show SMILES Clc1cc(Cl)cc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)c1
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PC sid
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n/an/a 13n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610141
PNG
(CHEMBL5274934)
Show SMILES [H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1ccccc1S(=O)(=O)c1ccccc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610119
PNG
(CHEMBL5285015)
Show SMILES Clc1cc(Cl)cc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
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n/an/a 20n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610125
PNG
(CHEMBL5276135)
Show SMILES CN(C1CCCCN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)c1ncnc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610124
PNG
(CHEMBL5274214)
Show SMILES Clc1cc(Cl)cc(NCC(=O)N2CCCCC(C2)Nc2ncnc3[nH]ncc23)c1
PDB
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n/an/a 43n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610132
PNG
(CHEMBL5290011)
Show SMILES CC1CC(CN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12
PDB
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n/an/a 45n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610131
PNG
(CHEMBL5289054)
Show SMILES CC1CCC(CN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12
PDB
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n/an/a 45n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610142
PNG
(CHEMBL5286967)
Show SMILES [H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1ccccc1S(=O)(=O)N1CCCCC1 |r|
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n/an/a 49n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610123
PNG
(CHEMBL5276339)
Show SMILES Clc1cc(Cl)cc(NCC(=O)N2CCCCC(C2)Nc2ncnc3[nH]ccc23)c1
PDB
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n/an/a 53n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610135
PNG
(CHEMBL5267533)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12 |r|
PDB
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n/an/a 58n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610117
PNG
(CHEMBL5269357)
Show SMILES Fc1cc(Cl)cc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
PDB
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n/an/a 80n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610120
PNG
(CHEMBL5286154)
Show SMILES Clc1cc(Cl)cc(NCC(=O)N2CCOCC(C2)Nc2ncnc3[nH]ccc23)c1
PDB
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n/an/a 110n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610130
PNG
(CHEMBL5276857)
Show SMILES CN([C@H]1CCCN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)c1ncnc2[nH]ccc12 |r|
PDB
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n/an/a 180n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610121
PNG
(CHEMBL5274555)
Show SMILES CC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC(C1)Nc1ncnc2[nH]ccc12 |r|
PDB
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n/an/a 220n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610122
PNG
(CHEMBL5289459)
Show SMILES CCC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC(C1)Nc1ncnc2[nH]ccc12 |r|
PDB
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n/an/a 270n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610118
PNG
(CHEMBL5273873)
Show SMILES Clc1cc(Cl)cc(NCC(=O)N2CCC[C@@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
PDB
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n/an/a 380n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610115
PNG
(CHEMBL5275020)
Show SMILES FC(F)(F)c1cc(Cl)cc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
PDB
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n/an/a 650n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610116
PNG
(CHEMBL5270872)
Show SMILES Fc1cc(Cl)cc(NCC(=O)N2CCC[C@@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
PDB
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n/an/a 890n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610112
PNG
(CHEMBL5266996)
Show SMILES Clc1cccc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
PDB
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n/an/a 1.10E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50610136
PNG
(CHEMBL5274179)
Show SMILES C[C@@H]1[C@@H](CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12 |r|
PDB
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n/an/a 1.59E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610114
PNG
(CHEMBL5266164)
Show SMILES Fc1cc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)cc(c1)C(F)(F)F |r|
PDB
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n/an/a 2.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610113
PNG
(CHEMBL5289611)
Show SMILES FC(F)(F)c1cccc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
PDB
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n/an/a 2.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610133
PNG
(CHEMBL5290736)
Show SMILES CC1CCN(CC1Nc1ncnc2[nH]ccc12)C(=O)CNc1cc(Cl)cc(Cl)c1
PDB
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n/an/a 2.90E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50610136
PNG
(CHEMBL5274179)
Show SMILES C[C@@H]1[C@@H](CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12 |r|
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50610140
PNG
(CHEMBL5266817)
Show SMILES [H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1cc(Cl)cc(Cl)c1 |r|
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50610111
PNG
(CHEMBL5279801)
Show SMILES Clc1ccc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)cc1 |r|
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50610140
PNG
(CHEMBL5266817)
Show SMILES [H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1cc(Cl)cc(Cl)c1 |r|
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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