BindingDB logo
myBDB logout

null

SMILES: C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)no1

InChI Key: InChIKey=VZYLLTLVHIYUFQ-GVHXONKLSA-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 2 hits for monomerid = 50081924   
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
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50081924
PNG
((S)-1-[(S)-2-[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)no1
Show InChI InChI=1S/C39H47N9O9/c1-22(42-35(54)28(40)18-24-9-13-26(50)14-10-24)34(53)43-29(19-23-6-3-2-4-7-23)37-46-39(47-57-37)45-30(20-25-11-15-27(51)16-12-25)38(56)48-17-5-8-32(48)36(55)44-31(21-49)33(41)52/h2-4,6-7,9-16,22,28-32,49-51H,5,8,17-21,40H2,1H3,(H2,41,52)(H,42,54)(H,43,53)(H,44,55)(H,45,47)/t22-,28+,29+,30+,31+,32+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.


J Med Chem 42: 4331-42 (1999)


BindingDB Entry DOI: 10.7270/Q2SJ1MBK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50081924
PNG
((S)-1-[(S)-2-[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)no1
Show InChI InChI=1S/C39H47N9O9/c1-22(42-35(54)28(40)18-24-9-13-26(50)14-10-24)34(53)43-29(19-23-6-3-2-4-7-23)37-46-39(47-57-37)45-30(20-25-11-15-27(51)16-12-25)38(56)48-17-5-8-32(48)36(55)44-31(21-49)33(41)52/h2-4,6-7,9-16,22,28-32,49-51H,5,8,17-21,40H2,1H3,(H2,41,52)(H,42,54)(H,43,53)(H,44,55)(H,45,47)/t22-,28+,29+,30+,31+,32+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 17n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity towards rat Opioid receptor mu 1 by displacing [3H]DAMGO.


J Med Chem 42: 4331-42 (1999)


BindingDB Entry DOI: 10.7270/Q2SJ1MBK
More data for this
Ligand-Target Pair