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BDBM50090903 CHEMBL3581755

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccc(OC)cc1)ccc3O

InChI Key: InChIKey=ZRDWOOPZQAVHOE-XOSCKEEYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090903   
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))		BDBM50090903
PNG
(CHEMBL3581755)
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)c1ccc(OC)cc1)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/C32H39NO5/c1-29(27(35)20-6-9-22(36-2)10-7-20)18-30-12-13-32(29,37-3)28-31(30)14-15-33(17-19-4-5-19)24(30)16-21-8-11-23(34)26(38-28)25(21)31/h6-11,19,24,27-28,34-35H,4-5,12-18H2,1-3H3/t24-,27-,28-,29-,30-,31+,32+/m1/s1
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Article
PubMed
 26n/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