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BDBM50024550 3-Ethyl-1-heptyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione::CHEMBL38439

SMILES: CCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1

InChI Key: InChIKey=VUERBXKAPXEVRA-UHFFFAOYNA-N

Data: 2 IC50

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   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 = 50024550   
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 19A1


(Homo sapiens (Human))
BDBM50024550
PNG
(3-Ethyl-1-heptyl-4,5-dihydro-3H-[3,4']bipyridinyl-...)
Show SMILES CCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1/C19H28N2O2/c1-3-5-6-7-8-15-21-17(22)9-12-19(4-2,18(21)23)16-10-13-20-14-11-16/h10-11,13-14H,3-9,12,15H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM50024550
PNG
(3-Ethyl-1-heptyl-4,5-dihydro-3H-[3,4']bipyridinyl-...)
Show SMILES CCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1/C19H28N2O2/c1-3-5-6-7-8-15-21-17(22)9-12-19(4-2,18(21)23)16-10-13-20-14-11-16/h10-11,13-14H,3-9,12,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair