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BDBM50113797 CHEMBL312479::S-3-Benzylamino-4-{2-[2-(1-carbamimidoyl-piperidin-4-yloxy)-ethyl]-piperidin-1-yl}-4-oxo-butyric acid

SMILES: NC(=N)N1CCC(CC1)OCC[C@@H]1CCCCN1C(=O)[C@H](CC(O)=O)NCc1ccccc1

InChI Key: InChIKey=MZNFVQFNMNOEPG-FPOVZHCZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113797   
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
Trypsin-1


(Homo sapiens (Human))		BDBM50113797
PNG
(CHEMBL312479 | S-3-Benzylamino-4-{2-[2-(1-carbamim...)
Show SMILES NC(=N)N1CCC(CC1)OCC[C@@H]1CCCCN1C(=O)[C@H](CC(O)=O)NCc1ccccc1
Show InChI InChI=1S/C24H37N5O4/c25-24(26)28-13-9-20(10-14-28)33-15-11-19-8-4-5-12-29(19)23(32)21(16-22(30)31)27-17-18-6-2-1-3-7-18/h1-3,6-7,19-21,27H,4-5,8-17H2,(H3,25,26)(H,30,31)/t19-,21-/m0/s1
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PC cid
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 9.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.

J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair