BindingDB logo
myBDB logout

BDBM50296582 (1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)cyclopentanamine::CHEMBL561732

SMILES: Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cnc(C)c(F)c1

InChI Key: InChIKey=DUMZWTCTHDHHDV-KGLIPLIRSA-N

Data: 2 IC50

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 = 50296582   
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))
BDBM50296582
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C17H22F2N4/c1-10-16(9-21-14-5-4-13(18)7-14)22-23(3)17(10)12-6-15(19)11(2)20-8-12/h6,8,13-14,21H,4-5,7,9H2,1-3H3/t13-,14+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
BindingDB Entry DOI: 10.7270/Q2H9958F
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296582
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C17H22F2N4/c1-10-16(9-21-14-5-4-13(18)7-14)22-23(3)17(10)12-6-15(19)11(2)20-8-12/h6,8,13-14,21H,4-5,7,9H2,1-3H3/t13-,14+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
BindingDB Entry DOI: 10.7270/Q2H9958F
More data for this
Ligand-Target Pair