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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 = 'BDBM50281811'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50281811
PNG
((S)-2-{(2S,3S)-2-[(S)-2-[((S)-1-{(S)-2-[(Adamantan...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C43H66N6O8/c1-5-26(4)36(39(53)46-34(41(55)56)17-25(2)3)48-37(51)33(21-27-11-13-31(50)14-12-27)45-38(52)35-10-8-16-49(35)40(54)32(9-6-7-15-44)47-42(57)43-22-28-18-29(23-43)20-30(19-28)24-43/h11-14,25-26,28-30,32-36,50H,5-10,15-24,44H2,1-4H3,(H,45,52)(H,46,53)(H,47,57)(H,48,51)(H,55,56)/t26-,28?,29?,30?,32-,33-,34-,35-,36-,43?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Opioid receptor kappa 1 by opioid receptor binding assay: Inactive


Bioorg Med Chem Lett 3: 2055-2060 (1993)


Article DOI: 10.1016/S0960-894X(01)81014-3
BindingDB Entry DOI: 10.7270/Q2M045XW
More data for this
Ligand-Target Pair