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BDBM50339885 3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine::CHEMBL1761308

SMILES: CCn1c(C)c(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc12

InChI Key: InChIKey=DPEMSOSNHCCDGQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50339885   
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
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50339885
PNG
(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)pipe...)
Show SMILES CCn1c(C)c(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc12
Show InChI InChI=1S/C27H27N5S/c1-3-32-18(2)25(21-10-6-13-28-26(21)32)20-9-7-15-31(17-20)27-29-14-12-22(30-27)24-16-19-8-4-5-11-23(19)33-24/h4-6,8,10-14,16,20H,3,7,9,15,17H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339885
PNG
(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)pipe...)
Show SMILES CCn1c(C)c(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc12
Show InChI InChI=1S/C27H27N5S/c1-3-32-18(2)25(21-10-6-13-28-26(21)32)20-9-7-15-31(17-20)27-29-14-12-22(30-27)24-16-19-8-4-5-11-23(19)33-24/h4-6,8,10-14,16,20H,3,7,9,15,17H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair