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BDBM50395459 CHEMBL2163640

SMILES: O=C1CCc2cc(cc3CCN1c23)C(C1CCC1)n1ccnc1

InChI Key: InChIKey=VLMXTDCZRRXWOY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50395459   
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))
BDBM50395459
PNG
(CHEMBL2163640)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CCC1)n1ccnc1
Show InChI InChI=1S/C19H21N3O/c23-17-5-4-14-10-16(11-15-6-8-22(17)19(14)15)18(13-2-1-3-13)21-9-7-20-12-21/h7,9-13,18H,1-6,8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate


J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50395459
PNG
(CHEMBL2163640)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CCC1)n1ccnc1
Show InChI InChI=1S/C19H21N3O/c23-17-5-4-14-10-16(11-15-6-8-22(17)19(14)15)18(13-2-1-3-13)21-9-7-20-12-21/h7,9-13,18H,1-6,8H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate


J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair