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Compile Data Set for Download or QSAR

Found 2 hits of kd data for polymerid = 49000820   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(MOUSE)
BDBM50411362
PNG
(CHEMBL437744)
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](-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]C([#6])([#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](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C84H142FN33O21/c1-44(67(126)108-54(22-14-34-100-81(94)95)71(130)109-51(19-8-11-31-86)70(129)112-55(23-15-35-101-82(96)97)72(131)110-52(20-9-12-32-87)73(132)113-58(39-62(92)122)76(135)107-50(66(93)125)29-30-61(91)121)105-78(137)60(43-119)115-74(133)53(21-10-13-33-88)111-75(134)56(24-16-36-102-83(98)99)116-80(139)84(3,4)118-64(124)42-104-79(138)65(45(2)120)117-77(136)57(38-47-25-27-48(85)28-26-47)106-63(123)41-103-69(128)59(40-89)114-68(127)49(90)37-46-17-6-5-7-18-46/h5-7,17-18,25-28,44-45,49-60,65,119-120H,8-16,19-24,29-43,86-90H2,1-4H3,(H2,91,121)(H2,92,122)(H2,93,125)(H,103,128)(H,104,138)(H,105,137)(H,106,123)(H,107,135)(H,108,126)(H,109,130)(H,110,131)(H,111,134)(H,112,129)(H,113,132)(H,114,127)(H,115,133)(H,116,139)(H,117,136)(H,118,124)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59?,60-,65-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.794n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at NOP receptor in Swiss mouse vas deferens by [35S]GTP-gamma-S binding assay


Bioorg Med Chem 15: 4434-43 (2007)


Article DOI: 10.1016/j.bmc.2007.04.026
BindingDB Entry DOI: 10.7270/Q22R3SVP
More data for this
Ligand-Target Pair
Nociceptin receptor


(MOUSE)
BDBM50333103
PNG
(CHEMBL1631931)
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](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#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]-1=O)-[#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]-1-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6]-1=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C90H143FN32O25/c1-48(125)73(123-86(146)61(39-49-26-28-51(91)29-27-49)111-71(132)45-107-69(130)43-106-70(131)44-108-75(135)50-17-3-2-4-18-50)88(148)109-46-72(133)110-52-22-8-13-36-103-68(129)42-63(121-87(147)64(47-124)122-82(142)55(21-7-12-34-94)114-79(139)57(116-76(52)136)24-15-37-104-89(98)99)85(145)117-58(25-16-38-105-90(100)101)80(140)112-53(19-5-10-32-92)77(137)115-56-23-9-14-35-102-67(128)41-60(74(97)134)119-83(143)59(30-31-65(95)126)118-84(144)62(40-66(96)127)120-81(141)54(113-78(56)138)20-6-11-33-93/h2-4,17-18,26-29,48,52-64,73,124-125H,5-16,19-25,30-47,92-94H2,1H3,(H2,95,126)(H2,96,127)(H2,97,134)(H,102,128)(H,103,129)(H,106,131)(H,107,130)(H,108,135)(H,109,148)(H,110,133)(H,111,132)(H,112,140)(H,113,138)(H,114,139)(H,115,137)(H,116,136)(H,117,145)(H,118,144)(H,119,143)(H,120,141)(H,121,147)(H,122,142)(H,123,146)(H4,98,99,104)(H4,100,101,105)/t48-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,73+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.95n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at NOR in mouse Neuro-2a cells assessed as inhibition of nociceptin-induced ERK phopshorylation administered for 15 mins before n...


J Med Chem 53: 8400-8408 (2010)


Article DOI: 10.1021/jm101139f
BindingDB Entry DOI: 10.7270/Q24Q7V77
More data for this
Ligand-Target Pair