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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 = 'BDBM50128074'   
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


(Homo sapiens (Human))		BDBM50128074
PNG
(CHEMBL269483 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Arg...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C57H91N19O12/c1-5-33(4)46(52(85)73-40(17-11-25-67-57(63)64)53(86)76-26-12-18-43(76)54(87)88)75-49(82)39(16-10-24-66-56(61)62)71-48(81)38(15-9-23-65-55(59)60)72-50(83)41(27-32(2)3)74-51(84)42(29-34-13-7-6-8-14-34)70-45(79)31-68-44(78)30-69-47(80)37(58)28-35-19-21-36(77)22-20-35/h6-8,13-14,19-22,32-33,37-43,46,77H,5,9-12,15-18,23-31,58H2,1-4H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,85)(H,74,84)(H,75,82)(H,87,88)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t33-,37-,38-,39-,40-,41-,42-,43+,46-/m0/s1
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Similars
Article
PubMed
 0.350n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell membranes using [3H]diprenorphine displacement.

J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair