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BDBM50101162 4,10N-dimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),15-tetraene-10-carboxamide::CHEMBL49029

SMILES: CNC(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C

InChI Key: InChIKey=HDZZVBSQIZPFRO-LLSMSMPGSA-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 = 50101162   
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50101162
PNG
(4,10N-dimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-4-aza...)
Show SMILES CNC(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C
Show InChI InChI=1S/C19H22N2O3/c1-20-18(23)11-4-3-10-9-13-12-5-6-14(22)17-19(12,7-8-21(13)2)15(10)16(11)24-17/h3-6,12-14,17,22H,7-9H2,1-2H3,(H,20,23)/t12-,13+,14?,17?,19-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
440n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO


Bioorg Med Chem Lett 11: 1717-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00278-5
BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50101162
PNG
(4,10N-dimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-4-aza...)
Show SMILES CNC(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C
Show InChI InChI=1S/C19H22N2O3/c1-20-18(23)11-4-3-10-9-13-12-5-6-14(22)17-19(12,7-8-21(13)2)15(10)16(11)24-17/h3-6,12-14,17,22H,7-9H2,1-2H3,(H,20,23)/t12-,13+,14?,17?,19-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 of guinea pig brain membranes using radioligand 0.2 nM [3H]Naltrindole


Bioorg Med Chem Lett 11: 1717-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00278-5
BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50101162
PNG
(4,10N-dimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-4-aza...)
Show SMILES CNC(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C
Show InChI InChI=1S/C19H22N2O3/c1-20-18(23)11-4-3-10-9-13-12-5-6-14(22)17-19(12,7-8-21(13)2)15(10)16(11)24-17/h3-6,12-14,17,22H,7-9H2,1-2H3,(H,20,23)/t12-,13+,14?,17?,19-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593


Bioorg Med Chem Lett 11: 1717-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00278-5
BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair