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BDBM50378952 CHEMBL2011435::US9394290, 40

SMILES: C(c1ccc(nc1)-c1ccoc1)n1ccnc1

InChI Key: InChIKey=BDOFEVRLGSFGCU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50378952   
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))
BDBM50378952
PNG
(CHEMBL2011435 | US9394290, 40)
Show SMILES C(c1ccc(nc1)-c1ccoc1)n1ccnc1
Show InChI InChI=1S/C13H11N3O/c1-2-13(12-3-6-17-9-12)15-7-11(1)8-16-5-4-14-10-16/h1-7,9-10H,8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 76n/an/an/an/an/a37



UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN

US Patent


Assay Description
V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...


US Patent US9394290 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H86
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378952
PNG
(CHEMBL2011435 | US9394290, 40)
Show SMILES C(c1ccc(nc1)-c1ccoc1)n1ccnc1
Show InChI InChI=1S/C13H11N3O/c1-2-13(12-3-6-17-9-12)15-7-11(1)8-16-5-4-14-10-16/h1-7,9-10H,8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 76n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50378952
PNG
(CHEMBL2011435 | US9394290, 40)
Show SMILES C(c1ccc(nc1)-c1ccoc1)n1ccnc1
Show InChI InChI=1S/C13H11N3O/c1-2-13(12-3-6-17-9-12)15-7-11(1)8-16-5-4-14-10-16/h1-7,9-10H,8H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.83E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50378952
PNG
(CHEMBL2011435 | US9394290, 40)
Show SMILES C(c1ccc(nc1)-c1ccoc1)n1ccnc1
Show InChI InChI=1S/C13H11N3O/c1-2-13(12-3-6-17-9-12)15-7-11(1)8-16-5-4-14-10-16/h1-7,9-10H,8H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 2.83E+3n/an/an/an/an/a37



UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN

US Patent


Assay Description
V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...


US Patent US9394290 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H86
More data for this
Ligand-Target Pair