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SMILES: C1CC2(CO1)CCN(CC2)c1cncc2ccccc12

InChI Key: InChIKey=UCRQCGWQPMNKBI-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50206208   
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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50206208
PNG
(CHEMBL3889825)
Show SMILES C1CC2(CO1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C17H20N2O/c1-2-4-15-14(3-1)11-18-12-16(15)19-8-5-17(6-9-19)7-10-20-13-17/h1-4,11-12H,5-10,13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 387n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...


ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50206208
PNG
(CHEMBL3889825)
Show SMILES C1CC2(CO1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C17H20N2O/c1-2-4-15-14(3-1)11-18-12-16(15)19-8-5-17(6-9-19)7-10-20-13-17/h1-4,11-12H,5-10,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...


ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair