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BDBM50341470 9-Isoquinolin-4-yl-1,2,6,7-tetrahydro-5H-pyrido[3,2,1-ij]quinolin-3-one::CHEMBL1765215

SMILES: O=C1CCc2cc(cc3CCCN1c23)-c1cncc2ccccc12

InChI Key: InChIKey=JQCBIGRJLIUCSI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50341470   
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))
BDBM50341470
PNG
(9-Isoquinolin-4-yl-1,2,6,7-tetrahydro-5H-pyrido[3,...)
Show SMILES O=C1CCc2cc(cc3CCCN1c23)-c1cncc2ccccc12
Show InChI InChI=1S/C21H18N2O/c24-20-8-7-15-11-17(10-14-5-3-9-23(20)21(14)15)19-13-22-12-16-4-1-2-6-18(16)19/h1-2,4,6,10-13H,3,5,7-9H2
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay


J Med Chem 54: 2307-19 (2011)


Article DOI: 10.1021/jm101470k
BindingDB Entry DOI: 10.7270/Q2765FM6
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50341470
PNG
(9-Isoquinolin-4-yl-1,2,6,7-tetrahydro-5H-pyrido[3,...)
Show SMILES O=C1CCc2cc(cc3CCCN1c23)-c1cncc2ccccc12
Show InChI InChI=1S/C21H18N2O/c24-20-8-7-15-11-17(10-14-5-3-9-23(20)21(14)15)19-13-22-12-16-4-1-2-6-18(16)19/h1-2,4,6,10-13H,3,5,7-9H2
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay


J Med Chem 54: 2307-19 (2011)


Article DOI: 10.1021/jm101470k
BindingDB Entry DOI: 10.7270/Q2765FM6
More data for this
Ligand-Target Pair