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BDBM50403821 CHEMBL93891

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccc(F)cc2CC1C(O)=O

InChI Key: InChIKey=BSCMXZDABPTCNN-OYKVQYDMSA-N

Data: 4 KI  1 EC50

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 5 hits for monomerid = 50403821   
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
Opioid receptor


(MOUSE)
BDBM50403821
PNG
(CHEMBL93891)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccc(F)cc2CC1C(O)=O
Show InChI InChI=1S/C21H23FN2O4/c1-11-5-16(25)6-12(2)17(11)9-18(23)20(26)24-10-13-3-4-15(22)7-14(13)8-19(24)21(27)28/h3-7,18-19,25H,8-10,23H2,1-2H3,(H,27,28)/t18-,19?/m0/s1
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Article
PubMed
0.320n/an/an/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor delta 1 in mouse vas deferens using competition binding assay


Bioorg Med Chem Lett 10: 2745-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50403821
PNG
(CHEMBL93891)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccc(F)cc2CC1C(O)=O
Show InChI InChI=1S/C21H23FN2O4/c1-11-5-16(25)6-12(2)17(11)9-18(23)20(26)24-10-13-3-4-15(22)7-14(13)8-19(24)21(27)28/h3-7,18-19,25H,8-10,23H2,1-2H3,(H,27,28)/t18-,19?/m0/s1
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Article
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43n/an/an/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of guinea pig ileum Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2745-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
Opioid receptor


(MOUSE)
BDBM50403821
PNG
(CHEMBL93891)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccc(F)cc2CC1C(O)=O
Show InChI InChI=1S/C21H23FN2O4/c1-11-5-16(25)6-12(2)17(11)9-18(23)20(26)24-10-13-3-4-15(22)7-14(13)8-19(24)21(27)28/h3-7,18-19,25H,8-10,23H2,1-2H3,(H,27,28)/t18-,19?/m0/s1
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Article
PubMed
65n/an/an/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor delta 1 in mouse vas deferens using competition binding assay


Bioorg Med Chem Lett 10: 2745-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50403821
PNG
(CHEMBL93891)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccc(F)cc2CC1C(O)=O
Show InChI InChI=1S/C21H23FN2O4/c1-11-5-16(25)6-12(2)17(11)9-18(23)20(26)24-10-13-3-4-15(22)7-14(13)8-19(24)21(27)28/h3-7,18-19,25H,8-10,23H2,1-2H3,(H,27,28)/t18-,19?/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
195n/an/an/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of guinea pig ileum Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2745-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50403821
PNG
(CHEMBL93891)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccc(F)cc2CC1C(O)=O
Show InChI InChI=1S/C21H23FN2O4/c1-11-5-16(25)6-12(2)17(11)9-18(23)20(26)24-10-13-3-4-15(22)7-14(13)8-19(24)21(27)28/h3-7,18-19,25H,8-10,23H2,1-2H3,(H,27,28)/t18-,19?/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 813n/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Negative logarithm of the molar concentration for agonist activity at mu receptor was determined in guinea pig ileum


Bioorg Med Chem Lett 10: 2745-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair