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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nociceptin/mu opioid receptor' and Ligand = 'BDBM50002185'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50002185
PNG
(CHEMBL438741 | Tyr-Gly-Gly-Phe-Leu-Lys(Ac)-Arg-Ile...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(C)=O)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)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C77H129N23O15/c1-8-47(6)64(74(114)96-57(27-19-37-88-77(84)85)75(115)100-38-20-28-61(100)73(113)95-55(24-13-16-34-79)68(108)97-58(39-45(2)3)70(110)92-53(65(81)105)23-12-15-33-78)99-69(109)56(26-18-36-87-76(82)83)93-67(107)54(25-14-17-35-86-48(7)101)94-71(111)59(40-46(4)5)98-72(112)60(42-49-21-10-9-11-22-49)91-63(104)44-89-62(103)43-90-66(106)52(80)41-50-29-31-51(102)32-30-50/h9-11,21-22,29-32,45-47,52-61,64,102H,8,12-20,23-28,33-44,78-80H2,1-7H3,(H2,81,105)(H,86,101)(H,89,103)(H,90,106)(H,91,104)(H,92,110)(H,93,107)(H,94,111)(H,95,113)(H,96,114)(H,97,108)(H,98,112)(H,99,109)(H4,82,83,87)(H4,84,85,88)/t47-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0180n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO to opioid receptor mu of rat fore brain membranes was determined


J Med Chem 35: 4330-3 (1992)


Article DOI: 10.1021/jm00101a010
BindingDB Entry DOI: 10.7270/Q2FB51W2
More data for this
Ligand-Target Pair