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BDBM50098233 CHEMBL9461::Naphthalene-2-sulfonic acid [1-[4-(amino-hydrazino-methyl)-benzyl]-2-(4-methanesulfonyl-piperazin-1-yl)-2-oxo-ethyl]-amide

SMILES: CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(cc1)C(N)NN)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=MEYHMWACLXVUJU-UXMRNZNESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50098233   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50098233
PNG
(CHEMBL9461 | Naphthalene-2-sulfonic acid [1-[4-(am...)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(cc1)C(N)NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H32N6O5S2/c1-37(33,34)31-14-12-30(13-15-31)25(32)23(16-18-6-8-20(9-7-18)24(26)28-27)29-38(35,36)22-11-10-19-4-2-3-5-21(19)17-22/h2-11,17,23-24,28-29H,12-16,26-27H2,1H3/t23-,24?/m0/s1
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Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity was determined against human thrombin


J Med Chem 44: 1043-50 (2001)


Article DOI: 10.1021/jm000405u
BindingDB Entry DOI: 10.7270/Q2KS6S86
More data for this
Ligand-Target Pair