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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50101161'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))		BDBM50101161
PNG
(CHEMBL3326230)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)SCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:16.14,wD:19.21,(18.17,-16.09,;19.49,-16.85,;20.81,-16.09,;19.49,-18.38,;18.17,-19.15,;16.84,-18.38,;18.92,-20.47,;20.45,-20.47,;21.21,-21.8,;21.22,-19.15,;17.4,-20.46,;18.16,-21.79,;15.87,-20.46,;11.7,-23.69,;10.22,-24.1,;9.12,-23.01,;9.82,-25.6,;9.05,-26.92,;7.52,-26.92,;6.75,-25.59,;7.52,-24.26,;9.06,-24.26,;5.84,-26.85,;4.3,-26.69,;3.67,-25.27,;4.58,-24.02,;6.12,-24.18,;6.75,-22.77,;5.61,-21.73,;5.6,-20.17,;4.26,-19.41,;2.93,-20.18,;2.93,-21.73,;4.26,-22.5,;11.36,-25.6,;12.12,-26.95,;13.66,-26.96,;14.44,-25.62,;13.67,-24.28,;12.13,-24.28,)|
Show InChI InChI=1S/C24H28N2S.C6H8O7/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,25H,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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Article
PubMed
 3.70n/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 by scintillation proximity assay

ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair