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BDBM50241648 CHEMBL4072980

SMILES: CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=NLDUIPOKJBPSQV-CTNGQTDRSA-N

Data: 1 KI  2 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50241648   
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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50241648
PNG
(CHEMBL4072980)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H27FN2O2S/c1-15-6-5-7-20(22)18(15)12-24-13-19(21(14-24)23(2)3)16-8-10-17(11-9-16)27(4,25)26/h5-11,19,21H,12-14H2,1-4H3/t19-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8321-8335 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50241648
PNG
(CHEMBL4072980)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H27FN2O2S/c1-15-6-5-7-20(22)18(15)12-24-13-19(21(14-24)23(2)3)16-8-10-17(11-9-16)27(4,25)26/h5-11,19,21H,12-14H2,1-4H3/t19-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 140n/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8321-8335 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50241648
PNG
(CHEMBL4072980)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H27FN2O2S/c1-15-6-5-7-20(22)18(15)12-24-13-19(21(14-24)23(2)3)16-8-10-17(11-9-16)27(4,25)26/h5-11,19,21H,12-14H2,1-4H3/t19-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 30n/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 60: 8321-8335 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G
More data for this
Ligand-Target Pair