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BDBM50340708 3-(9-(dimethylamino)nonyl)-8-(4-isopropylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one::CHEMBL1762372

SMILES: CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CN(CCCCCCCCCN(C)C)C2=O)c1ccccc1

InChI Key: InChIKey=KQUYXDKOXBGYGV-RNPORBBMSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340708   
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))		BDBM50340708
PNG
(3-(9-(dimethylamino)nonyl)-8-(4-isopropylcyclohexy...)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CN(CCCCCCCCCN(C)C)C2=O)c1ccccc1 |r,wU:6.9,3.2,(13.12,-7.89,;13.88,-9.22,;13.1,-10.55,;15.42,-9.23,;16.2,-7.9,;17.74,-7.9,;18.5,-9.25,;17.72,-10.58,;16.18,-10.56,;20.04,-9.26,;20.8,-10.61,;22.33,-10.62,;23.12,-9.3,;22.36,-7.95,;20.81,-7.93,;23.88,-10.63,;25.38,-10.31,;25.55,-8.79,;26.88,-8.02,;28.21,-8.8,;29.55,-8.03,;30.88,-8.8,;32.22,-8.04,;33.55,-8.8,;34.89,-8.03,;36.22,-8.8,;37.55,-8.02,;38.89,-8.79,;38.89,-10.33,;40.22,-8.02,;24.15,-8.16,;23.83,-6.66,;23.26,-12.03,;21.72,-12.19,;21.09,-13.59,;21.99,-14.84,;23.53,-14.68,;24.16,-13.27,)|
Show InChI InChI=1S/C33H56N4O/c1-28(2)29-17-19-30(20-18-29)35-25-21-33(22-26-35)32(38)36(27-37(33)31-15-11-10-12-16-31)24-14-9-7-5-6-8-13-23-34(3)4/h10-12,15-16,28-30H,5-9,13-14,17-27H2,1-4H3/t29-,30+
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n/an/a 5.5n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting

Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
BindingDB Entry DOI: 10.7270/Q2NK3FBC
More data for this
Ligand-Target Pair