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BDBM50255531 4-chlorophenyl 4-(5-(ethyl(2-hydroxyethyl)amino)pentyl)cyclohexyl(methyl)carbamate hydrochloride::CHEMBL480259

SMILES: CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1

InChI Key: InChIKey=BROPGQGJBYFUDA-XUTJKUGGNA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50255531   
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
Lanosterol synthase


(Saccharomyces cerevisiae)
BDBM50255531
PNG
(4-chlorophenyl 4-(5-(ethyl(2-hydroxyethyl)amino)pe...)
Show SMILES CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1/C23H37ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-9,12-13,16-18H2,1-2H3/t19-,21-
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255531
PNG
(4-chlorophenyl 4-(5-(ethyl(2-hydroxyethyl)amino)pe...)
Show SMILES CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1/C23H37ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-9,12-13,16-18H2,1-2H3/t19-,21-
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.12E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255531
PNG
(4-chlorophenyl 4-(5-(ethyl(2-hydroxyethyl)amino)pe...)
Show SMILES CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1/C23H37ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-9,12-13,16-18H2,1-2H3/t19-,21-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair