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BDBM397471 US9988392, Compound 17

SMILES: COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@]1(C)COCc1cc2ccccc2s1)OC

InChI Key: InChIKey=NSJIFTYAAISZTA-QKMWOXOCSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 397471   
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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM397471
PNG
(US9988392, Compound 17)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@]1(C)COCc1cc2ccccc2s1)OC |r,THB:23:22:12.13:19.18,24:22:12.13:19.18|
Show InChI InChI=1S/C32H37NO4S/c1-29(19-36-17-22-15-20-7-5-6-8-24(20)38-22)18-30-11-12-32(29,35-4)28-31(30)13-14-33(2)25(30)16-21-9-10-23(34-3)27(37-28)26(21)31/h5-10,15,25,28H,11-14,16-19H2,1-4H3/t25-,28-,29-,30-,31+,32?/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 74.2n/an/an/an/a



BioCryst Pharmaceuticals



Assay Description
μ-Opioid:Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.),...

Bioorg Med Chem 17: 3934-58 (2009)


BindingDB Entry DOI: 10.7270/Q28K7CF0
More data for this
Ligand-Target Pair