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BDBM50455189 CHEMBL2371015

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

InChI Key: InChIKey=XYLFUNIJCNHESI-YIBKTFNBSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50455189   
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))
BDBM50455189
PNG
(CHEMBL2371015)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(35(40)45)42-36(46)32(21-25-10-4-2-5-11-25)41-37(47)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-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60n/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))
BDBM50455189
PNG
(CHEMBL2371015)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(35(40)45)42-36(46)32(21-25-10-4-2-5-11-25)41-37(47)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-/m0/s1
PDB

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PC sid
UniChem

Similars

Article
PubMed
47n/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))
BDBM50455189
PNG
(CHEMBL2371015)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(35(40)45)42-36(46)32(21-25-10-4-2-5-11-25)41-37(47)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-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.28E+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