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BDBM50296583 (1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine::CHEMBL557653

SMILES: Cc1c(CN[C@H]2CC[C@@H](F)C2)[nH]nc1-c1cnc(C)c(F)c1

InChI Key: InChIKey=HGMBWWNKONNNTI-OLZOCXBDSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50296583   
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))
BDBM50296583
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)[nH]nc1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C16H20F2N4/c1-9-15(8-20-13-4-3-12(17)6-13)21-22-16(9)11-5-14(18)10(2)19-7-11/h5,7,12-13,20H,3-4,6,8H2,1-2H3,(H,21,22)/t12-,13+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.90n/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))
BDBM50296583
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)[nH]nc1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C16H20F2N4/c1-9-15(8-20-13-4-3-12(17)6-13)21-22-16(9)11-5-14(18)10(2)19-7-11/h5,7,12-13,20H,3-4,6,8H2,1-2H3,(H,21,22)/t12-,13+/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 7.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at ORL1 receptor by [35S]GTPgammaS binding assay


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