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BDBM50027005 CHEMBL2112843

SMILES: [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C(C)C)N2C

InChI Key: InChIKey=OEQJVUXXRVOFJA-AABGKKOBSA-N

Data: 3 IC50

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 = 50027005   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027005
PNG
(CHEMBL2112843)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C(C)C)N2C |TLB:4:3:22.17:11.16,12:11:22.17:8.2.3,THB:23:22:11.16:8.2.3,19:17:11.16:8.2.3,7:8:22.17:11.16|
Show InChI InChI=1S/C20H23N/c1-13(2)20-19-15-9-5-4-8-14(15)12-18(21(20)3)16-10-6-7-11-17(16)19/h4-11,13,18-20H,12H2,1-3H3/t18-,19+,20+/m1/s1
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Article
PubMed
n/an/a 3.41E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
BindingDB Entry DOI: 10.7270/Q2TM7BTT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027005
PNG
(CHEMBL2112843)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C(C)C)N2C |TLB:4:3:22.17:11.16,12:11:22.17:8.2.3,THB:23:22:11.16:8.2.3,19:17:11.16:8.2.3,7:8:22.17:11.16|
Show InChI InChI=1S/C20H23N/c1-13(2)20-19-15-9-5-4-8-14(15)12-18(21(20)3)16-10-6-7-11-17(16)19/h4-11,13,18-20H,12H2,1-3H3/t18-,19+,20+/m1/s1
PDB

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Article
PubMed
n/an/a 695n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor mu 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
BindingDB Entry DOI: 10.7270/Q2TM7BTT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027005
PNG
(CHEMBL2112843)
Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(C(C)C)N2C |TLB:4:3:22.17:11.16,12:11:22.17:8.2.3,THB:23:22:11.16:8.2.3,19:17:11.16:8.2.3,7:8:22.17:11.16|
Show InChI InChI=1S/C20H23N/c1-13(2)20-19-15-9-5-4-8-14(15)12-18(21(20)3)16-10-6-7-11-17(16)19/h4-11,13,18-20H,12H2,1-3H3/t18-,19+,20+/m1/s1
PDB

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KEGG

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PC cid
PC sid
UniChem

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



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
BindingDB Entry DOI: 10.7270/Q2TM7BTT
More data for this
Ligand-Target Pair