BindingDB logo
myBDB logout

BDBM50455190 CHEMBL2371020

SMILES: C[C@@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1

InChI Key: InChIKey=LHXYNKYCJVHHFO-ACRHKWHNSA-N

Data: 3 KI

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 3 hits for monomerid = 50455190   
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


(Homo sapiens (Human))
BDBM50455190
PNG
(CHEMBL2371020)
Show SMILES C[C@@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(37(47)41-32(35(40)45)21-25-10-4-2-5-11-25)42-36(46)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31+,32+,33+,34+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.660n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50455190
PNG
(CHEMBL2371020)
Show SMILES C[C@@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(37(47)41-32(35(40)45)21-25-10-4-2-5-11-25)42-36(46)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31+,32+,33+,34+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
149n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50455190
PNG
(CHEMBL2371020)
Show SMILES C[C@@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(37(47)41-32(35(40)45)21-25-10-4-2-5-11-25)42-36(46)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31+,32+,33+,34+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.32E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 on guinea pig cerebellum membranes by [3H]U-69593 displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair