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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 = 'BDBM50040129'   
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))		BDBM50040129
PNG
(CHEMBL408497 | Phe-Gly-Gly-Phe-c(Cys-Arg-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C57H88N20O12S2/c1-3-32(2)45-52(86)73-38(20-12-24-67-57(63)64)53(87)77-25-13-21-42(77)51(85)75-41(54(88)89)31-91-90-30-40(50(84)72-36(18-10-22-65-55(59)60)47(81)71-37(48(82)76-45)19-11-23-66-56(61)62)74-49(83)39(27-34-16-8-5-9-17-34)70-44(79)29-68-43(78)28-69-46(80)35(58)26-33-14-6-4-7-15-33/h4-9,14-17,32,35-42,45H,3,10-13,18-31,58H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,84)(H,73,86)(H,74,83)(H,75,85)(H,76,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t32-,35-,36+,37-,38-,39-,40+,41+,42+,45+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 15n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate

J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair