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BDBM50100191 CHEMBL3325807

SMILES: CN1CCN(CC1)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(C)=O)c2C)c2cc(Cl)ccc12

InChI Key: InChIKey=UEYBLYWXOJIQPE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50100191   
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
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100191
PNG
(CHEMBL3325807)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(C)=O)c2C)c2cc(Cl)ccc12
Show InChI InChI=1S/C28H29ClN6O3/c1-18-24(19(2)36)15-30-35(18)22-7-5-21(6-8-22)31-28(38)25-16-34(26-9-4-20(29)14-23(25)26)17-27(37)33-12-10-32(3)11-13-33/h4-9,14-16H,10-13,17H2,1-3H3,(H,31,38)
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PC cid
PC sid
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Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50100191
PNG
(CHEMBL3325807)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(C)=O)c2C)c2cc(Cl)ccc12
Show InChI InChI=1S/C28H29ClN6O3/c1-18-24(19(2)36)15-30-35(18)22-7-5-21(6-8-22)31-28(38)25-16-34(26-9-4-20(29)14-23(25)26)17-27(37)33-12-10-32(3)11-13-33/h4-9,14-16H,10-13,17H2,1-3H3,(H,31,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 143n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair