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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B1, mitochondrial' and Ligand = 'BDBM50378948'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378948
PNG
(CHEMBL2011431 | US9394290, 36)
Show SMILES C(c1cccnc1-c1cccs1)n1ccnc1
Show InChI InChI=1S/C13H11N3S/c1-3-11(9-16-7-6-14-10-16)13(15-5-1)12-4-2-8-17-12/h1-8,10H,9H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 16n/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))
BDBM50378948
PNG
(CHEMBL2011431 | US9394290, 36)
Show SMILES C(c1cccnc1-c1cccs1)n1ccnc1
Show InChI InChI=1S/C13H11N3S/c1-3-11(9-16-7-6-14-10-16)13(15-5-1)12-4-2-8-17-12/h1-8,10H,9H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 16n/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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378948
PNG
(CHEMBL2011431 | US9394290, 36)
Show SMILES C(c1cccnc1-c1cccs1)n1ccnc1
Show InChI InChI=1S/C13H11N3S/c1-3-11(9-16-7-6-14-10-16)13(15-5-1)12-4-2-8-17-12/h1-8,10H,9H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]11-deoxycorticosterone as substrate preincubated for 60 mins prior to subs...


ACS Med Chem Lett 4: 377-8 (2013)


Article DOI: 10.1021/ml4000595
BindingDB Entry DOI: 10.7270/Q22R3T0W
More data for this
Ligand-Target Pair