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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 = 'BDBM50133222'   
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))		BDBM50133222
PNG
(CHEMBL3634922)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1S/C65H95N23O14/c66-26-8-7-17-41(53(67)93)81-61(101)49-21-12-30-88(49)62(102)44(20-11-29-76-65(72)73)84-60(100)48-34-77-50(90)33-47(59(99)83-42(18-9-27-74-63(68)69)56(96)82-43(57(97)87-48)19-10-28-75-64(70)71)86-58(98)46(31-37-13-3-1-4-14-37)80-52(92)36-78-51(91)35-79-55(95)45(32-38-22-24-40(89)25-23-38)85-54(94)39-15-5-2-6-16-39/h1-6,13-16,22-25,41-49,89H,7-12,17-21,26-36,66H2,(H2,67,93)(H,77,90)(H,78,91)(H,79,95)(H,80,92)(H,81,101)(H,82,96)(H,83,99)(H,84,100)(H,85,94)(H,86,98)(H,87,97)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t41-,42-,43-,44-,45-,46-,47+,48?,49-/m0/s1
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Similars
Article
PubMed
 346n/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