BDBM50098211 (S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-1-ylmethyl-1H-indol-6-yl]-ureido}-3-(4-methoxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid benzylamide::1-(1-(2,6-dichlorobenzyl)-3-(pyrrolidin-1-ylmethyl)-1H-indol-6-yl)-3-((S)-1-((S)-1-(benzylamino)-5-guanidino-1-oxopentan-2-ylamino)-3-(4-methoxyphenyl)-1-oxopropan-2-yl)urea::2-[2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-1-ylmethyl-1H-indol-6-yl]-ureido}-3-(4-methoxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid benzylamide::CHEMBL7610::RWJ-54003

SMILES [#6]-[#8]-c1ccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-c2ccc3c(-[#6]-[#7]-4-[#6]-[#6]-[#6]-[#6]-4)cn(-[#6]-c4c(Cl)cccc4Cl)c3c2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-c2ccccc2)cc1

InChI Key InChIKey=BCXNFSKGOXTNLM-YDAXCOIMSA-N

Data  4 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50098211   

TargetProteinase-activated receptor 1(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50098211((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Affinity DataIC50:  1.30E+3nMAssay Description:In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProteinase-activated receptor 1(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50098211((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Affinity DataIC50:  900nMAssay Description:In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProteinase-activated receptor 1(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50098211((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Affinity DataIC50:  900nMAssay Description:In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50098211((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Affinity DataIC50:  900nMAssay Description:In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProteinase-activated receptor 1(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50098211((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Affinity DataKd:  1.30nMAssay Description:Binding affinity against Protease-activated receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed