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3 similar compounds to monomer 50019871

Compile data set for download or QSAR
Wt: 236.2
BDBM50019869
Wt: 250.2
BDBM50019870
Wt: 250.2
BDBM50019872

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50019869,50019870,50019872   
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 11B2, mitochondrial


(Homo sapiens (human))
BDBM50019869
PNG
(CHEMBL3287190)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H12N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-10H,1H3
PDB

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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM50019870
PNG
(CHEMBL3287191)
Show SMILES CCC(=O)n1ccc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C16H14N2O/c1-2-16(19)18-9-7-13-10-12(5-6-15(13)18)14-4-3-8-17-11-14/h3-11H,2H2,1H3
PDB

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Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50019872
PNG
(CHEMBL3287193)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C16H14N2O/c1-11-5-7-17-10-15(11)13-3-4-16-14(9-13)6-8-18(16)12(2)19/h3-10H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50019869
PNG
(CHEMBL3287190)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H12N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.38E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50019870
PNG
(CHEMBL3287191)
Show SMILES CCC(=O)n1ccc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C16H14N2O/c1-2-16(19)18-9-7-13-10-12(5-6-15(13)18)14-4-3-8-17-11-14/h3-11H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 736n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM50019872
PNG
(CHEMBL3287193)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C16H14N2O/c1-11-5-7-17-10-15(11)13-3-4-16-14(9-13)6-8-18(16)12(2)19/h3-10H,1-2H3
PDB

Reactome pathway
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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair