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BDBM50429536 CHEMBL2333771

SMILES: CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1

InChI Key: InChIKey=CBLLHAMJWDFKBI-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50429536   
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 P2Y1


(Homo sapiens (Human))
BDBM50429536
PNG
(CHEMBL2333771)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)18-13-15-19(16-14-18)28-24(30)29-21-11-9-17-27-23(21)31-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,28,29,30)
PDB

UniProtKB/SwissProt

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PC sid
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Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...


J Med Chem 56: 1704-14 (2013)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y14


(Homo sapiens)
BDBM50429536
PNG
(CHEMBL2333771)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)18-13-15-19(16-14-18)28-24(30)29-21-11-9-17-27-23(21)31-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,28,29,30)
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KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
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Article
PubMed
5.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y14 receptor


J Med Chem 56: 1704-14 (2013)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50429536
PNG
(CHEMBL2333771)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)18-13-15-19(16-14-18)28-24(30)29-21-11-9-17-27-23(21)31-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,28,29,30)
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KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y2 receptor


J Med Chem 56: 1704-14 (2013)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y11


(Homo sapiens)
BDBM50429536
PNG
(CHEMBL2333771)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)18-13-15-19(16-14-18)28-24(30)29-21-11-9-17-27-23(21)31-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,28,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y11 receptor


J Med Chem 56: 1704-14 (2013)

More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens)
BDBM50429536
PNG
(CHEMBL2333771)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)18-13-15-19(16-14-18)28-24(30)29-21-11-9-17-27-23(21)31-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,28,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y6 receptor


J Med Chem 56: 1704-14 (2013)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50429536
PNG
(CHEMBL2333771)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)18-13-15-19(16-14-18)28-24(30)29-21-11-9-17-27-23(21)31-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,28,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>7.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y12 receptor transfected in HEK293 cells assessed as [beta-33P] bound to cells after 1 hr by scintil...


J Med Chem 56: 1704-14 (2013)

More data for this
Ligand-Target Pair