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BDBM50049380 (S)-3-({1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-cyclohexanecarbonyl}-amino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid::CHEMBL165039

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

InChI Key: InChIKey=PWZLBCPLCBQHOG-JPMIEVGJSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50049380   
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))
BDBM50049380
PNG
((S)-3-({1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H49N7O9/c1-17(2)25(29(46)35-16-23(34)41)38-30(47)26(18(3)4)37-28(45)22(15-24(42)43)36-31(48)32(12-6-5-7-13-32)39-27(44)21(33)14-19-8-10-20(40)11-9-19/h8-11,17-18,21-22,25-26,40H,5-7,12-16,33H2,1-4H3,(H2,34,41)(H,35,46)(H,36,48)(H,37,45)(H,38,47)(H,39,44)(H,42,43)/t21-,22-,25-,26-/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.26E+3n/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))
BDBM50049380
PNG
((S)-3-({1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H49N7O9/c1-17(2)25(29(46)35-16-23(34)41)38-30(47)26(18(3)4)37-28(45)22(15-24(42)43)36-31(48)32(12-6-5-7-13-32)39-27(44)21(33)14-19-8-10-20(40)11-9-19/h8-11,17-18,21-22,25-26,40H,5-7,12-16,33H2,1-4H3,(H2,34,41)(H,35,46)(H,36,48)(H,37,45)(H,38,47)(H,39,44)(H,42,43)/t21-,22-,25-,26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.41E+5n/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