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BDBM50009154 2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-methyl-butyrylamino}-3-methyl-butyrylamino)-succinic acid::CHEMBL282139

SMILES: CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=XJSBEOFYVOPRCL-PKNMDTBHSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50009154   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009154
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C37H51N7O11/c1-19(2)30(36(53)44-31(20(3)4)35(52)42-27(37(54)55)17-29(47)48)43-28(46)18-39-34(51)26(16-22-9-7-6-8-10-22)41-32(49)21(5)40-33(50)25(38)15-23-11-13-24(45)14-12-23/h6-14,19-21,25-27,30-31,45H,15-18,38H2,1-5H3,(H,39,51)(H,40,50)(H,41,49)(H,42,52)(H,43,46)(H,44,53)(H,47,48)(H,54,55)/t21-,25-,26-,27-,30-,31-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.80n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in P2 membrane preparation of rat brain by [3H]DADLE displacement.


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009154
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C37H51N7O11/c1-19(2)30(36(53)44-31(20(3)4)35(52)42-27(37(54)55)17-29(47)48)43-28(46)18-39-34(51)26(16-22-9-7-6-8-10-22)41-32(49)21(5)40-33(50)25(38)15-23-11-13-24(45)14-12-23/h6-14,19-21,25-27,30-31,45H,15-18,38H2,1-5H3,(H,39,51)(H,40,50)(H,41,49)(H,42,52)(H,43,46)(H,44,53)(H,47,48)(H,54,55)/t21-,25-,26-,27-,30-,31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
58n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in P2 membrane preparation of rat brain by [3H]DAGO displacement.


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair