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SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=SNPUAPGFHRJGOV-UAKCFMCSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50034247   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50034247
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](Cc1cccs1)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/C35H50N8O10S/c1-17(2)28(34(52)38-16-26(37)45)43-35(53)29(18(3)4)42-33(51)25(15-27(46)47)41-32(50)24(14-22-7-6-12-54-22)40-30(48)19(5)39-31(49)23(36)13-20-8-10-21(44)11-9-20/h6-12,17-19,23-25,28-29,44H,13-16,36H2,1-5H3,(H2,37,45)(H,38,52)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,43,53)(H,46,47)/t19-,23-,24-,25-,28-,29-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.40n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor 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)
BDBM50034247
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](Cc1cccs1)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/C35H50N8O10S/c1-17(2)28(34(52)38-16-26(37)45)43-35(53)29(18(3)4)42-33(51)25(15-27(46)47)41-32(50)24(14-22-7-6-12-54-22)40-30(48)19(5)39-31(49)23(36)13-20-8-10-21(44)11-9-20/h6-12,17-19,23-25,28-29,44H,13-16,36H2,1-5H3,(H2,37,45)(H,38,52)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,43,53)(H,46,47)/t19-,23-,24-,25-,28-,29-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
419n/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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034247
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](Cc1cccs1)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/C35H50N8O10S/c1-17(2)28(34(52)38-16-26(37)45)43-35(53)29(18(3)4)42-33(51)25(15-27(46)47)41-32(50)24(14-22-7-6-12-54-22)40-30(48)19(5)39-31(49)23(36)13-20-8-10-21(44)11-9-20/h6-12,17-19,23-25,28-29,44H,13-16,36H2,1-5H3,(H2,37,45)(H,38,52)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,43,53)(H,46,47)/t19-,23-,24-,25-,28-,29-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 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