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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50171159'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171159
PNG
(Acetic acid (3S,4aR,4bS,6S,8R,8aR,10aR)-3-furan-3-...)
Show SMILES CC1CCN(CC1)NC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H38N2O7/c1-16-6-10-30(11-7-16)29-25(33)20-13-21(36-17(2)31)23(32)24-27(20,3)9-5-19-26(34)37-22(14-28(19,24)4)18-8-12-35-15-18/h8,12,15-16,19-22,24H,5-7,9-11,13-14H2,1-4H3,(H,29,33)/t19-,20-,21-,22-,24-,27-,28-/m0/s1
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Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair