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SMILES: Cc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1

InChI Key: InChIKey=SQTWRPBDKFGKKA-CVEARBPZSA-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 = 50296911   
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))
BDBM50296911
PNG
((1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-methyl-1-(6...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
Show InChI InChI=1S/C21H23ClFN5/c1-13-5-8-17(11-25-13)28-14(2)19(12-26-16-7-6-15(23)10-16)27-21(28)20-18(22)4-3-9-24-20/h3-5,8-9,11,15-16,26H,6-7,10,12H2,1-2H3/t15-,16+/m1/s1
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Article
PubMed
n/an/a 9.10n/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))
BDBM50296911
PNG
((1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-methyl-1-(6...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
Show InChI InChI=1S/C21H23ClFN5/c1-13-5-8-17(11-25-13)28-14(2)19(12-26-16-7-6-15(23)10-16)27-21(28)20-18(22)4-3-9-24-20/h3-5,8-9,11,15-16,26H,6-7,10,12H2,1-2H3/t15-,16+/m1/s1
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Article
PubMed
n/an/a 3.10E+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))
BDBM50296911
PNG
((1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-methyl-1-(6...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
Show InChI InChI=1S/C21H23ClFN5/c1-13-5-8-17(11-25-13)28-14(2)19(12-26-16-7-6-15(23)10-16)27-21(28)20-18(22)4-3-9-24-20/h3-5,8-9,11,15-16,26H,6-7,10,12H2,1-2H3/t15-,16+/m1/s1
PDB

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KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.70n/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