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BDBM50100995 CHEMBL3325883

SMILES: Cl.CN(C)[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1ccccc1

InChI Key: InChIKey=NZIUTPHUPLMKCR-KDURUIRLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50100995   
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))		BDBM50100995
PNG
(CHEMBL3325883)
Show SMILES Cl.CN(C)[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1ccccc1 |r,wU:7.9,4.2,(16.33,-31.4,;12.7,-28.27,;11.36,-27.51,;11.36,-25.97,;10.03,-28.28,;9.26,-26.95,;7.72,-26.95,;6.95,-28.29,;7.72,-29.61,;9.26,-29.61,;5.41,-28.29,;4.64,-26.96,;3.1,-26.95,;2.32,-28.29,;3.09,-29.63,;4.64,-29.63,;10.83,-29.6,;10.08,-30.94,;10.88,-32.26,;12.42,-32.23,;13.16,-30.87,;12.36,-29.56,)|
Show InChI InChI=1S/C19H30N2/c1-20(2)19(17-9-5-3-6-10-17)13-11-18(12-14-19)21-15-7-4-8-16-21/h3,5-6,9-10,18H,4,7-8,11-16H2,1-2H3/t18-,19+
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Article
PubMed
 110n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins

ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair