BindingDB logo
myBDB logout

null

SMILES: CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(C)n1-c1cc(F)cc(F)c1

InChI Key: InChIKey=WXGFDISGDAGZCW-CJNGLKHVSA-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 3 hits for monomerid = 50296915   
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))
BDBM50296915
PNG
((1S,3R)-N-((1-(3,5-difluorophenyl)-5-isopropyl-2-m...)
Show SMILES CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(C)n1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H24F3N3/c1-11(2)19-18(10-23-16-5-4-13(20)7-16)24-12(3)25(19)17-8-14(21)6-15(22)9-17/h6,8-9,11,13,16,23H,4-5,7,10H2,1-3H3/t13-,16+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4611-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.095
BindingDB Entry DOI: 10.7270/Q2TM7B4V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296915
PNG
((1S,3R)-N-((1-(3,5-difluorophenyl)-5-isopropyl-2-m...)
Show SMILES CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(C)n1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H24F3N3/c1-11(2)19-18(10-23-16-5-4-13(20)7-16)24-12(3)25(19)17-8-14(21)6-15(22)9-17/h6,8-9,11,13,16,23H,4-5,7,10H2,1-3H3/t13-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells overexpressing Ikr channel protein


Bioorg Med Chem Lett 19: 4611-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.095
BindingDB Entry DOI: 10.7270/Q2TM7B4V
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296915
PNG
((1S,3R)-N-((1-(3,5-difluorophenyl)-5-isopropyl-2-m...)
Show SMILES CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(C)n1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H24F3N3/c1-11(2)19-18(10-23-16-5-4-13(20)7-16)24-12(3)25(19)17-8-14(21)6-15(22)9-17/h6,8-9,11,13,16,23H,4-5,7,10H2,1-3H3/t13-,16+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned ORL1 receptor expressed in CHO cells assessed as inhibition of nociceptin/orphanin FQ-stimulated [35S]GTPgammaS b...


Bioorg Med Chem Lett 19: 4611-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.095
BindingDB Entry DOI: 10.7270/Q2TM7B4V
More data for this
Ligand-Target Pair