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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50079415'   
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
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50079415
PNG
(Ac-Tyr-Lys-Trp-Trp-Leu-Arg-Arg-D-Ala-Arg-Pro-Lys-N...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C77H117N25O13/c1-43(2)37-59(69(110)97-57(24-14-34-88-76(83)84)67(108)95-56(23-13-33-87-75(81)82)66(107)92-44(3)65(106)98-58(25-15-35-89-77(85)86)74(115)102-36-16-26-63(102)73(114)94-54(64(80)105)21-9-11-31-78)99-71(112)62(40-48-42-91-53-20-8-6-18-51(48)53)101-72(113)61(39-47-41-90-52-19-7-5-17-50(47)52)100-68(109)55(22-10-12-32-79)96-70(111)60(93-45(4)103)38-46-27-29-49(104)30-28-46/h5-8,17-20,27-30,41-44,54-63,90-91,104H,9-16,21-26,31-40,78-79H2,1-4H3,(H2,80,105)(H,92,107)(H,93,103)(H,94,114)(H,95,108)(H,96,111)(H,97,110)(H,98,106)(H,99,112)(H,100,109)(H,101,113)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t44-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+/m1/s1
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Similars
Article
PubMed
 5.32E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Opioid receptor delta 1 by using [3H]- DPDPE as a radioligand

J Med Chem 42: 3011-3 (1999)


Article DOI: 10.1021/jm9901071
BindingDB Entry DOI: 10.7270/Q2N58KKX
More data for this
Ligand-Target Pair