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BDBM50195015 CHEMBL219948::N-(4-(2-(4-(cyclohexylmethoxy)phenoxy)thiazol-5-yl)but-3-yn-2-yl)acetamide

SMILES: CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CCCCC3)cc2)s1

InChI Key: InChIKey=PPKWONNCNLJXHH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50195015   
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
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50195015
PNG
(CHEMBL219948 | N-(4-(2-(4-(cyclohexylmethoxy)pheno...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CCCCC3)cc2)s1
Show InChI InChI=1S/C22H26N2O3S/c1-16(24-17(2)25)8-13-21-14-23-22(28-21)27-20-11-9-19(10-12-20)26-15-18-6-4-3-5-7-18/h9-12,14,16,18H,3-7,15H2,1-2H3,(H,24,25)
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n/an/a 27n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


Bioorg Med Chem Lett 16: 6078-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50195015
PNG
(CHEMBL219948 | N-(4-(2-(4-(cyclohexylmethoxy)pheno...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CCCCC3)cc2)s1
Show InChI InChI=1S/C22H26N2O3S/c1-16(24-17(2)25)8-13-21-14-23-22(28-21)27-20-11-9-19(10-12-20)26-15-18-6-4-3-5-7-18/h9-12,14,16,18H,3-7,15H2,1-2H3,(H,24,25)
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 86n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


Bioorg Med Chem Lett 17: 1961-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.022
BindingDB Entry DOI: 10.7270/Q2W095KS
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50195015
PNG
(CHEMBL219948 | N-(4-(2-(4-(cyclohexylmethoxy)pheno...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CCCCC3)cc2)s1
Show InChI InChI=1S/C22H26N2O3S/c1-16(24-17(2)25)8-13-21-14-23-22(28-21)27-20-11-9-19(10-12-20)26-15-18-6-4-3-5-7-18/h9-12,14,16,18H,3-7,15H2,1-2H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 86n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


Bioorg Med Chem Lett 16: 6078-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50195015
PNG
(CHEMBL219948 | N-(4-(2-(4-(cyclohexylmethoxy)pheno...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CCCCC3)cc2)s1
Show InChI InChI=1S/C22H26N2O3S/c1-16(24-17(2)25)8-13-21-14-23-22(28-21)27-20-11-9-19(10-12-20)26-15-18-6-4-3-5-7-18/h9-12,14,16,18H,3-7,15H2,1-2H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


Bioorg Med Chem Lett 17: 1961-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.022
BindingDB Entry DOI: 10.7270/Q2W095KS
More data for this
Ligand-Target Pair