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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50014998   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50014998
PNG
(CHEMBL3262361)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
Show InChI InChI=1S/C32H37NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-14,20,24-25,28,34-35H,3,9-10,15-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/s1
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0.950n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50014998
PNG
(CHEMBL3262361)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
Show InChI InChI=1S/C32H37NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-14,20,24-25,28,34-35H,3,9-10,15-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50014998
PNG
(CHEMBL3262361)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
Show InChI InChI=1S/C32H37NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-14,20,24-25,28,34-35H,3,9-10,15-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50014998
PNG
(CHEMBL3262361)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
Show InChI InChI=1S/C32H37NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-14,20,24-25,28,34-35H,3,9-10,15-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/s1
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197n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-N/OFQ from human nociceptin opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting a...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair