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SMILES: Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1

InChI Key: InChIKey=RLIBKISXFVIFNR-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50340687   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340687
PNG
(CHEMBL1762383 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C55H56N8O4/c1-36-28-50(56)48-30-42(18-24-52(48)60-36)62-54(64)46-12-6-4-10-40(46)34-66-44-20-14-38(15-21-44)32-58-26-8-3-9-27-59-33-39-16-22-45(23-17-39)67-35-41-11-5-7-13-47(41)55(65)63-43-19-25-53-49(31-43)51(57)29-37(2)61-53/h4-7,10-25,28-31,58-59H,3,8-9,26-27,32-35H2,1-2H3,(H2,56,60)(H2,57,61)(H,62,64)(H,63,65)
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
BindingDB Entry DOI: 10.7270/Q2NK3FBC
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340687
PNG
(CHEMBL1762383 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C55H56N8O4/c1-36-28-50(56)48-30-42(18-24-52(48)60-36)62-54(64)46-12-6-4-10-40(46)34-66-44-20-14-38(15-21-44)32-58-26-8-3-9-27-59-33-39-16-22-45(23-17-39)67-35-41-11-5-7-13-47(41)55(65)63-43-19-25-53-49(31-43)51(57)29-37(2)61-53/h4-7,10-25,28-31,58-59H,3,8-9,26-27,32-35H2,1-2H3,(H2,56,60)(H2,57,61)(H,62,64)(H,63,65)
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Article
PubMed
n/an/a 76.2n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
BindingDB Entry DOI: 10.7270/Q2NK3FBC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340687
PNG
(CHEMBL1762383 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show InChI InChI=1S/C55H56N8O4/c1-36-28-50(56)48-30-42(18-24-52(48)60-36)62-54(64)46-12-6-4-10-40(46)34-66-44-20-14-38(15-21-44)32-58-26-8-3-9-27-59-33-39-16-22-45(23-17-39)67-35-41-11-5-7-13-47(41)55(65)63-43-19-25-53-49(31-43)51(57)29-37(2)61-53/h4-7,10-25,28-31,58-59H,3,8-9,26-27,32-35H2,1-2H3,(H2,56,60)(H2,57,61)(H,62,64)(H,63,65)
PDB

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Article
PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
BindingDB Entry DOI: 10.7270/Q2NK3FBC
More data for this
Ligand-Target Pair