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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50051180'   
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
Mu-type opioid receptor


(GUINEA PIG)		BDBM50051180
PNG
(CHEMBL387083 | Cyclic Lactam Peptide Analogues of ...)
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](CCCCNC(=O)C[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C61H96N20O13/c1-3-35(2)50-58(93)79-45(59(94)81-29-13-20-46(81)57(92)75-40(51(64)86)16-7-9-25-62)32-47(83)69-26-10-8-17-41(53(88)76-42(18-11-27-70-60(65)66)54(89)77-43(55(90)80-50)19-12-28-71-61(67)68)78-56(91)44(31-36-14-5-4-6-15-36)74-49(85)34-72-48(84)33-73-52(87)39(63)30-37-21-23-38(82)24-22-37/h4-6,14-15,21-24,35,39-46,50,82H,3,7-13,16-20,25-34,62-63H2,1-2H3,(H2,64,86)(H,69,83)(H,72,84)(H,73,87)(H,74,85)(H,75,92)(H,76,88)(H,77,89)(H,78,91)(H,79,93)(H,80,90)(H4,65,66,70)(H4,67,68,71)/t35-,39-,40-,41-,42-,43+,44-,45+,46+,50-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain membrane homogenates

J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair