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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50395098'   
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
Delta-type opioid receptor


(MOUSE)		BDBM50395098
PNG
(CHEMBL2163532)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)C1C2CC3CC(C2)CC1C3 |r,wU:21.26,6.6,18.27,wD:13.19,14.14,TLB:35:34:28.29.30:32,THB:35:29:32:26.34.33,24:26:28.29.30:32,30:29:26:31.32.33,30:31:26:28.29.35,(8.77,-11.54,;9.57,-10.18,;8.79,-8.87,;9.57,-7.54,;11.11,-7.54,;11.85,-6.2,;13.35,-6.2,;13.39,-4.66,;14.17,-3.31,;15.71,-3.29,;16.46,-1.95,;12.6,-5.64,;12.6,-7.54,;13.39,-8.87,;14.14,-10.18,;12.56,-11.1,;11.11,-10.18,;11.85,-8.87,;15.68,-10.19,;16.47,-8.87,;15.71,-7.54,;14.17,-7.54,;14.93,-6.18,;16.43,-11.54,;17.97,-11.56,;18.76,-10.24,;18.72,-12.92,;20.15,-12.88,;18.77,-13.73,;18.3,-15.24,;19.46,-16.21,;20.81,-15.31,;21.3,-13.86,;19.38,-15.21,;18.27,-14.34,;16.73,-15.18,)|
Show InChI InChI=1S/C30H38N2O4/c1-2-8-32-9-7-29-25-18-3-4-22(33)26(25)36-27(29)21(5-6-30(29,35)23(32)15-18)31-28(34)24-19-11-16-10-17(13-19)14-20(24)12-16/h2-4,16-17,19-21,23-24,27,33,35H,1,5-15H2,(H,31,34)/t16?,17?,19?,20?,21-,23-,24?,27+,29+,30-/m1/s1
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Similars
Article
PubMed
>100n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned DOR-1 expressed in CHO cell membrane after 90 mins

J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair