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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 = 'BDBM50133216'   
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))		BDBM50133216
PNG
(CHEMBL3634916)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)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/C68H105N23O13/c1-3-40(2)56(64(103)88-48(23-14-32-80-68(76)77)65(104)91-33-15-24-52(91)63(102)85-45(57(71)96)20-10-11-29-69)90-60(99)47(22-13-31-79-67(74)75)86-59(98)46(21-12-30-78-66(72)73)87-62(101)51(36-53(70)93)89-61(100)50(35-41-16-6-4-7-17-41)84-55(95)39-82-54(94)38-83-58(97)49(34-42-25-27-44(92)28-26-42)81-37-43-18-8-5-9-19-43/h4-9,16-19,25-28,40,45-52,56,81,92H,3,10-15,20-24,29-39,69H2,1-2H3,(H2,70,93)(H2,71,96)(H,82,94)(H,83,97)(H,84,95)(H,85,102)(H,86,98)(H,87,101)(H,88,103)(H,89,100)(H,90,99)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t40-,45-,46-,47-,48-,49-,50-,51+,52-,56-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
 412n/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