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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 = 'BDBM50133262'   
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))		BDBM50133262
PNG
(CHEMBL3634928)
Show SMILES CC1NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1C(=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/C66H99N23O13/c1-38-54(62(101)86-46(21-12-30-77-66(73)74)63(102)89-31-13-22-50(89)61(100)83-43(55(68)94)18-8-9-27-67)88-58(97)45(20-11-29-76-65(71)72)84-57(96)44(19-10-28-75-64(69)70)85-60(99)49(34-51(91)81-38)87-59(98)48(33-39-14-4-2-5-15-39)82-53(93)37-79-52(92)36-80-56(95)47(32-40-23-25-42(90)26-24-40)78-35-41-16-6-3-7-17-41/h2-7,14-17,23-26,38,43-50,54,78,90H,8-13,18-22,27-37,67H2,1H3,(H2,68,94)(H,79,92)(H,80,95)(H,81,91)(H,82,93)(H,83,100)(H,84,96)(H,85,99)(H,86,101)(H,87,98)(H,88,97)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t38?,43-,44-,45-,46-,47-,48-,49+,50-,54?/m0/s1
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Similars
Article
PubMed
 403n/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