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BDBM50090905 CHEMBL3581761

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccs1)ccc3O

InChI Key: InChIKey=WQOZFGXCUSUYOX-KTNFDRHGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090905   
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))		BDBM50090905
PNG
(CHEMBL3581761)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccs1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
Show InChI InChI=1S/C29H35NO4S/c1-26(24(32)20-4-3-13-35-20)16-27-9-10-29(26,33-2)25-28(27)11-12-30(15-17-5-6-17)21(27)14-18-7-8-19(31)23(34-25)22(18)28/h3-4,7-8,13,17,21,24-25,31-32H,5-6,9-12,14-16H2,1-2H3/t21-,24-,25-,26-,27-,28+,29+/m1/s1
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Article
PubMed
 571n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in HEK293 cell membranes incubated for 1 hr by beta counting method

J Med Chem 58: 4242-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00130
BindingDB Entry DOI: 10.7270/Q2ST7RKD
More data for this
Ligand-Target Pair