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BDBM50157341 3-(2-Carbamimidoyl-isoquinolin-7-yl)-2-{4-[1-(1-imino-ethyl)-pyrrolidin-3-yloxy]-phenyl}-propionic acid; pentahydrate ; hydrochloride::CHEMBL180677

SMILES: CC(=N)N1CCC(C1)Oc1ccc(cc1)C(Cc1ccc2cc[n+](cc2c1)C(N)=N)C(O)=O

InChI Key: InChIKey=SSHJUVBZCCHLJW-UHFFFAOYNA-O

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50157341   
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
Plasminogen


(Homo sapiens (Human))
BDBM50157341
PNG
(3-(2-Carbamimidoyl-isoquinolin-7-yl)-2-{4-[1-(1-im...)
Show SMILES CC(=N)N1CCC(C1)Oc1ccc(cc1)C(Cc1ccc2cc[n+](cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1/C25H27N5O3/c1-16(26)29-11-9-22(15-29)33-21-6-4-19(5-7-21)23(24(31)32)13-17-2-3-18-8-10-30(25(27)28)14-20(18)12-17/h2-8,10,12,14,22-23,26H,9,11,13,15H2,1H3,(H3-,27,28,31,32)/p+1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30E+4n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against plasmin; n=3


Bioorg Med Chem Lett 15: 185-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.033
BindingDB Entry DOI: 10.7270/Q26Q1Z14
More data for this
Ligand-Target Pair