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BDBM50443583 CHEMBL3091981

SMILES: Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1

InChI Key: InChIKey=YFICELBHPPRCPC-RNNQSOSRSA-N

Data: 3 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 3 hits for monomerid = 50443583   
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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443583
PNG
(CHEMBL3091981)
Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1 |r,w:11.11|
Show InChI InChI=1S/C24H25FN2O2/c25-19-6-3-5-16(12-19)18-8-9-20(26-14-18)10-11-22-21-7-2-1-4-17(21)13-24(22)15-27-23(28)29-24/h3,5-6,8-12,14,17,21-22H,1-2,4,7,13,15H2,(H,27,28)/t17-,21-,22+,24?/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followe...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443583
PNG
(CHEMBL3091981)
Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1 |r,w:11.11|
Show InChI InChI=1S/C24H25FN2O2/c25-19-6-3-5-16(12-19)18-8-9-20(26-14-18)10-11-22-21-7-2-1-4-17(21)13-24(22)15-27-23(28)29-24/h3,5-6,8-12,14,17,21-22H,1-2,4,7,13,15H2,(H,27,28)/t17-,21-,22+,24?/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443583
PNG
(CHEMBL3091981)
Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1 |r,w:11.11|
Show InChI InChI=1S/C24H25FN2O2/c25-19-6-3-5-16(12-19)18-8-9-20(26-14-18)10-11-22-21-7-2-1-4-17(21)13-24(22)15-27-23(28)29-24/h3,5-6,8-12,14,17,21-22H,1-2,4,7,13,15H2,(H,27,28)/t17-,21-,22+,24?/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair