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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 = 'BDBM50508340'   
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


(Mus musculus (Mouse))		BDBM50508340
PNG
(CHEMBL4469986)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1C(F)(F)F)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C27H28F3N3O4/c28-27(29,30)17-12-31-9-6-16(17)24(35)32-18-5-7-26(36)20-11-15-3-4-19(34)22-21(15)25(26,23(18)37-22)8-10-33(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,34,36H,1-2,5,7-8,10-11,13H2,(H,32,35)/t18-,20-,23+,25+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
 13n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from mouse KOR expressed in CHO cell membranes by competitive radioligand binding assay

J Med Chem 62: 561-574 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01158
BindingDB Entry DOI: 10.7270/Q2CN776T
More data for this
Ligand-Target Pair