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BDBM50122615 CHEMBL2373353::Dodecahydro-7,14-methano-dipyrido[1,2-a;1',2'-e][1,5]diazocine

SMILES: [H][C@]12CN3CCCCC3[C@]([H])(CN3CCCCC13)C2

InChI Key: InChIKey=SLRCCWJSBJZJBV-NAOUJUTFSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50122615   
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
Cytochrome P450 2D18


(Rattus norvegicus)
BDBM50122615
PNG
(CHEMBL2373353 | Dodecahydro-7,14-methano-dipyrido[...)
Show SMILES [H][C@]12CN3CCCCC3[C@]([H])(CN3CCCCC13)C2
Show InChI InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13?,14?,15?/m0/s1
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PubMed
n/an/a 1.49E+6n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D4 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50122615
PNG
(CHEMBL2373353 | Dodecahydro-7,14-methano-dipyrido[...)
Show SMILES [H][C@]12CN3CCCCC3[C@]([H])(CN3CCCCC13)C2
Show InChI InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13?,14?,15?/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PubMed
n/an/a 6.64E+4n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D2


(Rattus norvegicus)
BDBM50122615
PNG
(CHEMBL2373353 | Dodecahydro-7,14-methano-dipyrido[...)
Show SMILES [H][C@]12CN3CCCCC3[C@]([H])(CN3CCCCC13)C2
Show InChI InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13?,14?,15?/m0/s1
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KEGG

UniProtKB/SwissProt

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PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D2 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D3


(Rattus norvegicus)
BDBM50122615
PNG
(CHEMBL2373353 | Dodecahydro-7,14-methano-dipyrido[...)
Show SMILES [H][C@]12CN3CCCCC3[C@]([H])(CN3CCCCC13)C2
Show InChI InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13?,14?,15?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
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Article
PubMed
n/an/a 2.15E+6n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D3 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair