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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 = 'BDBM50133048'   
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))		BDBM50133048
PNG
(CHEMBL429351 | Opioid Peptide [d-Ala(8)]Dynorphin ...)
Show SMILES CC(C)C[C@H](NC(=O)C1(Cc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H98N22O12/c1-34(2)28-45(81-57(95)61(30-37-12-4-5-13-38(37)31-61)82-48(86)33-74-47(85)32-75-51(89)40(63)29-36-19-21-39(84)22-20-36)54(92)79-43(16-9-25-72-59(67)68)53(91)78-42(15-8-24-71-58(65)66)52(90)76-35(3)50(88)80-44(17-10-26-73-60(69)70)56(94)83-27-11-18-46(83)55(93)77-41(49(64)87)14-6-7-23-62/h4-5,12-13,19-22,34-35,40-46,84H,6-11,14-18,23-33,62-63H2,1-3H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,95)(H,82,86)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t35-,40+,41+,42+,43+,44+,45+,46+/m1/s1
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Similars
Article
PubMed
 26.5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards rat Opioid receptor kappa 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]-dipren...

J Med Chem 46: 4002-8 (2003)


Article DOI: 10.1021/jm030075o
BindingDB Entry DOI: 10.7270/Q2CN739H
More data for this
Ligand-Target Pair