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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50034241'   
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)
BDBM50034241
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-7-6-8-23(38)13-22)43-32(51)20(5)42-33(52)25(39)14-21-9-11-24(47)12-10-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25-,26-,27-,30-,31-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.48E+3n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


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


J Med Chem 38: 1242-6 (1995)


BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50034241
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-7-6-8-23(38)13-22)43-32(51)20(5)42-33(52)25(39)14-21-9-11-24(47)12-10-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25-,26-,27-,30-,31-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.48E+3n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


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


J Med Chem 38: 1242-6 (1995)


BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair