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BDBM50032517 (6aR,12bS)-2-Ethyl-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridine-10,11-diol::CHEMBL104571

SMILES: CCc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1

InChI Key: InChIKey=CMTLMUAHYIMWAR-VQIMIIECSA-N

Data: 2 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 3 hits for monomerid = 50032517   
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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50032517
PNG
((6aR,12bS)-2-Ethyl-5,6,6a,7,8,12b-hexahydro-benzo[...)
Show SMILES CCc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
Show InChI InChI=1S/C19H21NO2/c1-2-11-3-4-13-10-20-16-6-5-12-8-17(21)18(22)9-15(12)19(16)14(13)7-11/h3-4,7-9,16,19-22H,2,5-6,10H2,1H3/t16-,19-/m1/s1
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Article
PubMed
29n/an/an/an/an/an/an/an/a



Quimique C£a. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Eur J Med Chem 48: 97-107 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.039
BindingDB Entry DOI: 10.7270/Q22V2GK1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50032517
PNG
((6aR,12bS)-2-Ethyl-5,6,6a,7,8,12b-hexahydro-benzo[...)
Show SMILES CCc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
Show InChI InChI=1S/C19H21NO2/c1-2-11-3-4-13-10-20-16-6-5-12-8-17(21)18(22)9-15(12)19(16)14(13)7-11/h3-4,7-9,16,19-22H,2,5-6,10H2,1H3/t16-,19-/m1/s1
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PubMed
420n/an/an/an/an/an/an/an/a



Quimique C£a. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Eur J Med Chem 48: 97-107 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.039
BindingDB Entry DOI: 10.7270/Q22V2GK1
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032517
PNG
((6aR,12bS)-2-Ethyl-5,6,6a,7,8,12b-hexahydro-benzo[...)
Show SMILES CCc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
Show InChI InChI=1S/C19H21NO2/c1-2-11-3-4-13-10-20-16-6-5-12-8-17(21)18(22)9-15(12)19(16)14(13)7-11/h3-4,7-9,16,19-22H,2,5-6,10H2,1H3/t16-,19-/m1/s1
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PubMed
n/an/an/an/a 610n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)


Article DOI: 10.1021/jm00016a009
BindingDB Entry DOI: 10.7270/Q2JD4VTB
More data for this
Ligand-Target Pair