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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 = 'BDBM50019840'   
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))		BDBM50019840
PNG
((2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino...)
Show SMILES C[S+]([O-])CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H32N4O7S/c1-37(36)12-11-20(28-23(33)19(26)13-17-7-9-18(30)10-8-17)25(35)29-21(24(34)27-15-22(31)32)14-16-5-3-2-4-6-16/h2-10,19-21,30H,11-15,26H2,1H3,(H,27,34)(H,28,33)(H,29,35)(H,31,32)/t19-,20-,21-,37?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain

J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair