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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50092999'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50092999
PNG
(5'-(2-aminoethyl)Natrindole | CHEMBL72885)
Show SMILES NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21|
Show InChI InChI=1S/C28H31N3O3/c29-9-7-15-3-5-20-18(11-15)19-13-28(33)22-12-17-4-6-21(32)25-23(17)27(28,26(34-25)24(19)30-20)8-10-31(22)14-16-1-2-16/h3-6,11,16,22,26,30,32-33H,1-2,7-10,12-14,29H2/t22?,26?,27?,28-/m1/s1
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PC cid
PC sid
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Similars

PubMed
29.6n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against CHO cells transfected with cloned human Opioid receptor mu 1 by displacing [3H]DAMGO


Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50092999
PNG
(5'-(2-aminoethyl)Natrindole | CHEMBL72885)
Show SMILES NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21|
Show InChI InChI=1S/C28H31N3O3/c29-9-7-15-3-5-20-18(11-15)19-13-28(33)22-12-17-4-6-21(32)25-23(17)27(28,26(34-25)24(19)30-20)8-10-31(22)14-16-1-2-16/h3-6,11,16,22,26,30,32-33H,1-2,7-10,12-14,29H2/t22?,26?,27?,28-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor delta 1 by displacement of [3H]Cl-DPDPE


Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair