BindingDB logo
myBDB logout

BDBM50034407 1N-{3-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-11-ylmethyl]phenyl}-2-bromoacetamide::CHEMBL282518

SMILES: Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(NC(=O)CBr)c1

InChI Key: InChIKey=HDUSMYFDADSZOJ-FWJDJVLASA-N

Data: 4 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 4 hits for monomerid = 50034407   
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))
BDBM50034407
PNG
(1N-{3-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(NC(=O)CBr)c1
Show InChI InChI=1S/C35H34BrN3O4/c36-17-29(41)37-23-5-3-4-21(14-23)19-39-26-7-2-1-6-24(26)25-16-35(42)28-15-22-10-11-27(40)32-30(22)34(35,33(43-32)31(25)39)12-13-38(28)18-20-8-9-20/h1-7,10-11,14,20,28,33,40,42H,8-9,12-13,15-19H2,(H,37,41)/t28?,33-,34?,35+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.0380n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta2 opioid receptor using [3H]-DSLET as a radioligand in the guinea pig brain membranes.


J Med Chem 38: 1337-43 (1995)


Article DOI: 10.1021/jm00008a012
BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034407
PNG
(1N-{3-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(NC(=O)CBr)c1
Show InChI InChI=1S/C35H34BrN3O4/c36-17-29(41)37-23-5-3-4-21(14-23)19-39-26-7-2-1-6-24(26)25-16-35(42)28-15-22-10-11-27(40)32-30(22)34(35,33(43-32)31(25)39)12-13-38(28)18-20-8-9-20/h1-7,10-11,14,20,28,33,40,42H,8-9,12-13,15-19H2,(H,37,41)/t28?,33-,34?,35+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.0190n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta1 opioid receptor using [3H]-DPDPE as a radioligand in the guinea pig brain membranes.


J Med Chem 38: 1337-43 (1995)


Article DOI: 10.1021/jm00008a012
BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034407
PNG
(1N-{3-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(NC(=O)CBr)c1
Show InChI InChI=1S/C35H34BrN3O4/c36-17-29(41)37-23-5-3-4-21(14-23)19-39-26-7-2-1-6-24(26)25-16-35(42)28-15-22-10-11-27(40)32-30(22)34(35,33(43-32)31(25)39)12-13-38(28)18-20-8-9-20/h1-7,10-11,14,20,28,33,40,42H,8-9,12-13,15-19H2,(H,37,41)/t28?,33-,34?,35+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against mu opioid receptor using [3H]-DAMGO as a radioligand in the guinea pig brain membranes.


J Med Chem 38: 1337-43 (1995)


Article DOI: 10.1021/jm00008a012
BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034407
PNG
(1N-{3-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(NC(=O)CBr)c1
Show InChI InChI=1S/C35H34BrN3O4/c36-17-29(41)37-23-5-3-4-21(14-23)19-39-26-7-2-1-6-24(26)25-16-35(42)28-15-22-10-11-27(40)32-30(22)34(35,33(43-32)31(25)39)12-13-38(28)18-20-8-9-20/h1-7,10-11,14,20,28,33,40,42H,8-9,12-13,15-19H2,(H,37,41)/t28?,33-,34?,35+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as a radioligand in the guinea pig brain membranes.


J Med Chem 38: 1337-43 (1995)


Article DOI: 10.1021/jm00008a012
BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair