BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50133220'   
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))		BDBM50133220
PNG
(CHEMBL3634920)
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)NCC2CC2)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/C62H97N23O13/c63-23-5-4-12-39(51(64)90)79-58(97)47-16-9-27-85(47)59(98)42(15-8-26-73-62(69)70)82-57(96)46-32-75-48(87)30-45(56(95)81-40(13-6-24-71-60(65)66)53(92)80-41(54(93)84-46)14-7-25-72-61(67)68)83-55(94)44(29-35-10-2-1-3-11-35)78-50(89)34-76-49(88)33-77-52(91)43(74-31-37-17-18-37)28-36-19-21-38(86)22-20-36/h1-3,10-11,19-22,37,39-47,74,86H,4-9,12-18,23-34,63H2,(H2,64,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,97)(H,80,92)(H,81,95)(H,82,96)(H,83,94)(H,84,93)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t39-,40-,41-,42-,43-,44-,45+,46?,47-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 44n/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