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BDBM50049379 (S)-3-[(S)-2-({1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-cyclohexanecarbonyl}-amino)-3-phenyl-propionylamino]-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid::CHEMBL165263

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=UEVFYKFKEUHPLB-WDEDYMKJSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50049379   
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))
BDBM50049379
PNG
((S)-3-[(S)-2-({1-[(S)-2-Amino-3-(4-hydroxy-phenyl)...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H58N8O10/c1-23(2)33(38(57)44-22-31(43)51)48-39(58)34(24(3)4)47-37(56)30(21-32(52)53)45-36(55)29(20-25-11-7-5-8-12-25)46-40(59)41(17-9-6-10-18-41)49-35(54)28(42)19-26-13-15-27(50)16-14-26/h5,7-8,11-16,23-24,28-30,33-34,50H,6,9-10,17-22,42H2,1-4H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t28-,29-,30-,33-,34-/m0/s1
PDB

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KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.48n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE (0.63 nM) from Opioid receptor delta 1


J Med Chem 39: 773-80 (1996)


Article DOI: 10.1021/jm950490j
BindingDB Entry DOI: 10.7270/Q2QV3KKJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50049379
PNG
((S)-3-[(S)-2-({1-[(S)-2-Amino-3-(4-hydroxy-phenyl)...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H58N8O10/c1-23(2)33(38(57)44-22-31(43)51)48-39(58)34(24(3)4)47-37(56)30(21-32(52)53)45-36(55)29(20-25-11-7-5-8-12-25)46-40(59)41(17-9-6-10-18-41)49-35(54)28(42)19-26-13-15-27(50)16-14-26/h5,7-8,11-16,23-24,28-30,33-34,50H,6,9-10,17-22,42H2,1-4H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t28-,29-,30-,33-,34-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.11E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO (1.28 nM) from Opioid receptor mu 1


J Med Chem 39: 773-80 (1996)


Article DOI: 10.1021/jm950490j
BindingDB Entry DOI: 10.7270/Q2QV3KKJ
More data for this
Ligand-Target Pair