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SMILES: CC(C)c1c(CNC2CCCC2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1

InChI Key: InChIKey=BOWSGWFJDZSKQS-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50296913   
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))
BDBM50296913
PNG
(CHEMBL561396 | N-((2-(3-chloropyridin-2-yl)-5-isop...)
Show SMILES CC(C)c1c(CNC2CCCC2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
Show InChI InChI=1S/C23H28ClN5/c1-15(2)22-20(14-27-17-7-4-5-8-17)28-23(21-19(24)9-6-12-25-21)29(22)18-11-10-16(3)26-13-18/h6,9-13,15,17,27H,4-5,7-8,14H2,1-3H3
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Article
PubMed
n/an/a 4.70n/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))
BDBM50296913
PNG
(CHEMBL561396 | N-((2-(3-chloropyridin-2-yl)-5-isop...)
Show SMILES CC(C)c1c(CNC2CCCC2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
Show InChI InChI=1S/C23H28ClN5/c1-15(2)22-20(14-27-17-7-4-5-8-17)28-23(21-19(24)9-6-12-25-21)29(22)18-11-10-16(3)26-13-18/h6,9-13,15,17,27H,4-5,7-8,14H2,1-3H3
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Article
PubMed
n/an/a 9.90E+3n/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))
BDBM50296913
PNG
(CHEMBL561396 | N-((2-(3-chloropyridin-2-yl)-5-isop...)
Show SMILES CC(C)c1c(CNC2CCCC2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
Show InChI InChI=1S/C23H28ClN5/c1-15(2)22-20(14-27-17-7-4-5-8-17)28-23(21-19(24)9-6-12-25-21)29(22)18-11-10-16(3)26-13-18/h6,9-13,15,17,27H,4-5,7-8,14H2,1-3H3
PDB

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Article
PubMed
n/an/a 9.60n/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