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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 = 'BDBM50133218'   
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


(Rattus norvegicus (rat))		BDBM50133218
PNG
(CHEMBL3634918)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C59H93N23O13/c1-68-40(27-34-18-20-35(83)21-19-34)49(88)74-31-46(85)73-32-47(86)75-41(28-33-11-3-2-4-12-33)52(91)80-42-29-45(84)72-30-43(81-51(90)38(15-8-24-70-58(64)65)77-50(89)37(78-53(42)92)14-7-23-69-57(62)63)54(93)79-39(16-9-25-71-59(66)67)56(95)82-26-10-17-44(82)55(94)76-36(48(61)87)13-5-6-22-60/h2-4,11-12,18-21,36-44,68,83H,5-10,13-17,22-32,60H2,1H3,(H2,61,87)(H,72,84)(H,73,85)(H,74,88)(H,75,86)(H,76,94)(H,77,89)(H,78,92)(H,79,93)(H,80,91)(H,81,90)(H4,62,63,69)(H4,64,65,70)(H4,66,67,71)/t36-,37-,38-,39-,40-,41-,42+,43?,44-/m0/s1
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Similars
Article
PubMed
 160n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter

J Med Chem 58: 8783-95 (2015)


Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z
More data for this
Ligand-Target Pair