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BDBM50440701 CHEMBL2431061

SMILES: OC(=O)c1cc(sc1NC(=O)[C@H](Cc1ccccc1)NCc1cncs1)-c1ccncc1

InChI Key: InChIKey=QCIDOEAESDHGMR-IBGZPJMESA-N

Data: 2 EC50

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 2 hits for monomerid = 50440701   
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
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50440701
PNG
(CHEMBL2431061)
Show SMILES OC(=O)c1cc(sc1NC(=O)[C@H](Cc1ccccc1)NCc1cncs1)-c1ccncc1 |r|
Show InChI InChI=1S/C23H20N4O3S2/c28-21(19(10-15-4-2-1-3-5-15)26-13-17-12-25-14-31-17)27-22-18(23(29)30)11-20(32-22)16-6-8-24-9-7-16/h1-9,11-12,14,19,26H,10,13H2,(H,27,28)(H,29,30)/t19-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 121n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...


ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50440701
PNG
(CHEMBL2431061)
Show SMILES OC(=O)c1cc(sc1NC(=O)[C@H](Cc1ccccc1)NCc1cncs1)-c1ccncc1 |r|
Show InChI InChI=1S/C23H20N4O3S2/c28-21(19(10-15-4-2-1-3-5-15)26-13-17-12-25-14-31-17)27-22-18(23(29)30)11-20(32-22)16-6-8-24-9-7-16/h1-9,11-12,14,19,26H,10,13H2,(H,27,28)(H,29,30)/t19-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.25E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...


ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair