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BDBM50105697 1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-[2-imino-3-(2-morpholin-4-yl-ethyl)-2,3-dihydro-benzoimidazol-1-yl]-ethanone::CHEMBL95632

SMILES: CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn1c2ccccc2n(CCN2CCOCC2)c1=N

InChI Key: InChIKey=KMHNDSHZJUHLTO-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105697   
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))
BDBM50105697
PNG
(1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-[2-imino-...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn1c2ccccc2n(CCN2CCOCC2)c1=N
Show InChI InChI=1S/C29H40N4O3/c1-28(2,3)21-17-20(18-22(26(21)35)29(4,5)6)25(34)19-33-24-10-8-7-9-23(24)32(27(33)30)12-11-31-13-15-36-16-14-31/h7-10,17-18,30,35H,11-16,19H2,1-6H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 98n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets


Bioorg Med Chem Lett 11: 2851-3 (2001)


BindingDB Entry DOI: 10.7270/Q2NP23PC
More data for this
Ligand-Target Pair