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BDBM50089538 5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-pentyl-amino]-3,4-dihydro-1H-quinolin-2-one::CHEMBL36240

SMILES: CCCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12

InChI Key: InChIKey=HVHDWERDWSQTBM-JXMROGBWSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50089538   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chitin synthase 3


(Candida albicans)
BDBM50089538
PNG
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-pentyl-amin...)
Show SMILES CCCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C23H32N2O/c1-5-6-9-17-25(18-10-7-8-16-23(2,3)4)21-13-11-12-20-19(21)14-15-22(26)24-20/h7,10-13H,5-6,9,14-15,17-18H2,1-4H3,(H,24,26)/b10-7+
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 3.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Candida albicans chitin synthase


Citation and Details

Article DOI: 10.1007/s00044-012-0177-9
BindingDB Entry DOI: 10.7270/Q21N8422
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089538
PNG
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-pentyl-amin...)
Show SMILES CCCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C23H32N2O/c1-5-6-9-17-25(18-10-7-8-16-23(2,3)4)21-13-11-12-20-19(21)14-15-22(26)24-20/h7,10-13H,5-6,9,14-15,17-18H2,1-4H3,(H,24,26)/b10-7+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair