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SMILES: COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncco3)c2=O)C(C)C)c1

InChI Key: InChIKey=KASWPDSWITZTPK-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 2 hits for monomerid = 50478182   
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


(Homo sapiens (Human))
BDBM50478182
PNG
(CHEMBL262062)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncco3)c2=O)C(C)C)c1
Show InChI InChI=1S/C30H38N4O4/c1-21(2)27(38-28-19-24(36-4)10-9-22(28)3)13-17-32-15-11-23(12-16-32)34-26-8-6-5-7-25(26)33(30(34)35)20-29-31-14-18-37-29/h5-10,14,18-19,21,23,27H,11-13,15-17,20H2,1-4H3
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50478182
PNG
(CHEMBL262062)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncco3)c2=O)C(C)C)c1
Show InChI InChI=1S/C30H38N4O4/c1-21(2)27(38-28-19-24(36-4)10-9-22(28)3)13-17-32-15-11-23(12-16-32)34-26-8-6-5-7-25(26)33(30(34)35)20-29-31-14-18-37-29/h5-10,14,18-19,21,23,27H,11-13,15-17,20H2,1-4H3
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
83n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair