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BDBM50201606 CHEMBL3896713

SMILES: Cc1cn(cn1)-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)c(F)c1

InChI Key: InChIKey=ATEYPTRGUFOPEH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50201606   
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


(Mus musculus)
BDBM50201606
PNG
(CHEMBL3896713)
Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)c(F)c1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)13-5-6-14(16(23)7-13)18-9-29(27-26-18)10-19(30)25-17-4-2-3-15(21)20(17)22/h2-9,11H,10H2,1H3,(H,25,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201606
PNG
(CHEMBL3896713)
Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)c(F)c1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)13-5-6-14(16(23)7-13)18-9-29(27-26-18)10-19(30)25-17-4-2-3-15(21)20(17)22/h2-9,11H,10H2,1H3,(H,25,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 79n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201606
PNG
(CHEMBL3896713)
Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)c(F)c1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)13-5-6-14(16(23)7-13)18-9-29(27-26-18)10-19(30)25-17-4-2-3-15(21)20(17)22/h2-9,11H,10H2,1H3,(H,25,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 687n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201606
PNG
(CHEMBL3896713)
Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)c(F)c1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)13-5-6-14(16(23)7-13)18-9-29(27-26-18)10-19(30)25-17-4-2-3-15(21)20(17)22/h2-9,11H,10H2,1H3,(H,25,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 77n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair