BindingDB logo
myBDB logout

null

SMILES: COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3c(C)noc3C)c2=O)C(C)C)c1

InChI Key: InChIKey=DNWBVIHRXCWTCQ-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 = 50478162   
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))
BDBM50478162
PNG
(CHEMBL259120)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3c(C)noc3C)c2=O)C(C)C)c1
Show InChI InChI=1S/C32H42N4O4/c1-21(2)30(39-31-19-26(38-6)12-11-22(31)3)15-18-34-16-13-25(14-17-34)36-29-10-8-7-9-28(29)35(32(36)37)20-27-23(4)33-40-24(27)5/h7-12,19,21,25,30H,13-18,20H2,1-6H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.5n/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))
BDBM50478162
PNG
(CHEMBL259120)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3c(C)noc3C)c2=O)C(C)C)c1
Show InChI InChI=1S/C32H42N4O4/c1-21(2)30(39-31-19-26(38-6)12-11-22(31)3)15-18-34-16-13-25(14-17-34)36-29-10-8-7-9-28(29)35(32(36)37)20-27-23(4)33-40-24(27)5/h7-12,19,21,25,30H,13-18,20H2,1-6H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
56n/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