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SMILES: CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1

InChI Key: InChIKey=QDXKTBFIOVZINL-SJORKVTESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50296914   
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))
BDBM50296914
PNG
((1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-isopropyl-1...)
Show SMILES CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
Show InChI InChI=1S/C23H27ClFN5/c1-14(2)22-20(13-28-17-8-7-16(25)11-17)29-23(21-19(24)5-4-10-26-21)30(22)18-9-6-15(3)27-12-18/h4-6,9-10,12,14,16-17,28H,7-8,11,13H2,1-3H3/t16-,17+/m1/s1
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Article
PubMed
n/an/a 1.40n/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))
BDBM50296914
PNG
((1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-isopropyl-1...)
Show SMILES CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
Show InChI InChI=1S/C23H27ClFN5/c1-14(2)22-20(13-28-17-8-7-16(25)11-17)29-23(21-19(24)5-4-10-26-21)30(22)18-9-6-15(3)27-12-18/h4-6,9-10,12,14,16-17,28H,7-8,11,13H2,1-3H3/t16-,17+/m1/s1
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Article
PubMed
n/an/a 1.50E+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))
BDBM50296914
PNG
((1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-isopropyl-1...)
Show SMILES CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
Show InChI InChI=1S/C23H27ClFN5/c1-14(2)22-20(13-28-17-8-7-16(25)11-17)29-23(21-19(24)5-4-10-26-21)30(22)18-9-6-15(3)27-12-18/h4-6,9-10,12,14,16-17,28H,7-8,11,13H2,1-3H3/t16-,17+/m1/s1
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/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