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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=LCFFZUZPPRYCKY-UHFFFAOYSA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 1 (Human) | BDBM50098211![]() (RWJ-54003 | 2-[2-{3-[1-(2,6-Dichloro-benzyl)-3-pyr...) | GoogleScholar | UniChem | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prothrombin (Human) | BDBM50098211![]() (RWJ-54003 | 2-[2-{3-[1-(2,6-Dichloro-benzyl)-3-pyr...) | GoogleScholar | UniChem | n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Proteinase-activated receptor 1 (Human) | BDBM50098211![]() (RWJ-54003 | 2-[2-{3-[1-(2,6-Dichloro-benzyl)-3-pyr...) | GoogleScholar | UniChem | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Proteinase-activated receptor 1 (Human) | BDBM50098211![]() (RWJ-54003 | 2-[2-{3-[1-(2,6-Dichloro-benzyl)-3-pyr...) | GoogleScholar | UniChem | n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Proteinase-activated receptor 1 (Human) | BDBM50098211![]() (RWJ-54003 | 2-[2-{3-[1-(2,6-Dichloro-benzyl)-3-pyr...) | GoogleScholar | UniChem | n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||