BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=BJOKIOHBLROPGB-JQOLTRQRSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50059369   
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


(Rattus norvegicus (rat))
BDBM50059369
PNG
((R)-3-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C33H52N8O10/c1-16(2)24(28(48)36-15-22(35)43)39-29(49)25(17(3)4)38-27(47)21(14-23(44)45)37-30(50)32(5,6)41-31(51)33(7,8)40-26(46)20(34)13-18-9-11-19(42)12-10-18/h9-12,16-17,20-21,24-25,42H,13-15,34H2,1-8H3,(H2,35,43)(H,36,48)(H,37,50)(H,38,47)(H,39,49)(H,40,46)(H,41,51)(H,44,45)/t20-,21+,24-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.62n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059369
PNG
((R)-3-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C33H52N8O10/c1-16(2)24(28(48)36-15-22(35)43)39-29(49)25(17(3)4)38-27(47)21(14-23(44)45)37-30(50)32(5,6)41-31(51)33(7,8)40-26(46)20(34)13-18-9-11-19(42)12-10-18/h9-12,16-17,20-21,24-25,42H,13-15,34H2,1-8H3,(H2,35,43)(H,36,48)(H,37,50)(H,38,47)(H,39,49)(H,40,46)(H,41,51)(H,44,45)/t20-,21+,24-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.52E+4n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50059369
PNG
((R)-3-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C33H52N8O10/c1-16(2)24(28(48)36-15-22(35)43)39-29(49)25(17(3)4)38-27(47)21(14-23(44)45)37-30(50)32(5,6)41-31(51)33(7,8)40-26(46)20(34)13-18-9-11-19(42)12-10-18/h9-12,16-17,20-21,24-25,42H,13-15,34H2,1-8H3,(H2,35,43)(H,36,48)(H,37,50)(H,38,47)(H,39,49)(H,40,46)(H,41,51)(H,44,45)/t20-,21+,24-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for Opioid receptor delta 1 was determined in vitro, on mouse vas deferens (MVD).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50059369
PNG
((R)-3-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C33H52N8O10/c1-16(2)24(28(48)36-15-22(35)43)39-29(49)25(17(3)4)38-27(47)21(14-23(44)45)37-30(50)32(5,6)41-31(51)33(7,8)40-26(46)20(34)13-18-9-11-19(42)12-10-18/h9-12,16-17,20-21,24-25,42H,13-15,34H2,1-8H3,(H2,35,43)(H,36,48)(H,37,50)(H,38,47)(H,39,49)(H,40,46)(H,41,51)(H,44,45)/t20-,21+,24-,25-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>10n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Functional biological activity for mu opioid receptor was determined in vitro , on guinea pig ileum (GPI).


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair