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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 = 'BDBM50066351'   
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))		BDBM50066351
PNG
(CHEMBL3401555)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccc(cc2cn1)[N+]([O-])=O)ccc3O |r,TLB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H30N4O6/c35-23-6-4-18-13-24-30(37)8-7-21(27-29(30,25(18)26(23)40-27)9-10-33(24)15-16-1-2-16)32-28(36)22-12-17-3-5-20(34(38)39)11-19(17)14-31-22/h3-6,11-12,14,16,21,24,27,35,37H,1-2,7-10,13,15H2,(H,32,36)/t21-,24+,27-,29-,30+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 16n/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 cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair