BindingDB logo
myBDB logout

BDBM50048134 CHEMBL3309516

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(CCc2ccccc2)C(=O)CC1)ccc3O

InChI Key: InChIKey=OLGGVKYQNBLGAI-CTZUUEIXSA-N

Data: 1 KI

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 1 hit for monomerid = 50048134   
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))		BDBM50048134
PNG
(CHEMBL3309516)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(CCc2ccccc2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H34N2O4/c34-23-10-8-21-16-24-31(36)17-22-9-11-25(35)33(14-12-19-4-2-1-3-5-19)27(22)29-30(31,26(21)28(23)37-29)13-15-32(24)18-20-6-7-20/h1-5,8,10,20,24,29,34,36H,6-7,9,11-18H2/t24-,29+,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.50E+3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cell membranes after 60 mins by scintillation counting method

Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
BindingDB Entry DOI: 10.7270/Q2JM2C8P
More data for this
Ligand-Target Pair