BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM230682'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230682
PNG
(US9340530, 20a | US9340530, 20b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cscn1 |r|
Show InChI InChI=1S/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)36-26(35)27(24,14-28(16,29)30)25(34)23-13-37-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230682
PNG
(US9340530, 20a | US9340530, 20b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cscn1 |r|
Show InChI InChI=1S/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)36-26(35)27(24,14-28(16,29)30)25(34)23-13-37-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair