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BDBM50443580 CHEMBL3091993

SMILES: CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O

InChI Key: InChIKey=BUPBXZWQINIBSW-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 = 50443580   
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))
BDBM50443580
PNG
(CHEMBL3091993)
Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13|
Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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))
BDBM50443580
PNG
(CHEMBL3091993)
Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13|
Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/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))
BDBM50443580
PNG
(CHEMBL3091993)
Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13|
Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/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