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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fatty acid binding protein muscle' and Monomerid = 50248245   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50248245
PNG
(5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocycloh...)
Show SMILES NC(=O)c1cccc(Cn2c3CCCCCc3c3cccc(C(O)=O)c23)c1
Show InChI InChI=1S/C22H22N2O3/c23-21(25)15-7-4-6-14(12-15)13-24-19-11-3-1-2-8-16(19)17-9-5-10-18(20(17)24)22(26)27/h4-7,9-10,12H,1-3,8,11,13H2,(H2,23,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by scintillation proximity assay


Bioorg Med Chem Lett 19: 1745-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50248245
PNG
(5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocycloh...)
Show SMILES NC(=O)c1cccc(Cn2c3CCCCCc3c3cccc(C(O)=O)c23)c1
Show InChI InChI=1S/C22H22N2O3/c23-21(25)15-7-4-6-14(12-15)13-24-19-11-3-1-2-8-16(19)17-9-5-10-18(20(17)24)22(26)27/h4-7,9-10,12H,1-3,8,11,13H2,(H2,23,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by fluorescence polarization assay


Bioorg Med Chem Lett 19: 1745-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair