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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 = 'BDBM50010530'   
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))		BDBM50010530
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C44H69N15O9/c1-25(2)20-32(37(45)63)59-41(67)31(13-9-19-52-44(48)49)58-40(66)30(12-8-18-51-43(46)47)57-38(64)26(3)55-42(68)34(22-27-10-6-5-7-11-27)56-36(62)24-53-35(61)23-54-39(65)33(50-4)21-28-14-16-29(60)17-15-28/h5-7,10-11,14-17,25-26,30-34,50,60H,8-9,12-13,18-24H2,1-4H3,(H2,45,63)(H,53,61)(H,54,65)(H,55,68)(H,56,62)(H,57,64)(H,58,66)(H,59,67)(H4,46,47,51)(H4,48,49,52)/t26-,30+,31+,32+,33+,34-/m1/s1
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PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)

J Med Chem 33: 206-12 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair