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BDBM50098230 CHEMBL9491::N-[1-(4-Diaminomethyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide

SMILES: NC(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1

InChI Key: InChIKey=FCNOYFKCLVAMSK-XMMPIXPASA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50098230   
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


(Bos taurus (Bovine))		BDBM50098230
PNG
(CHEMBL9491 | N-[1-(4-Diaminomethyl-benzyl)-2-oxo-2...)
Show SMILES NC(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H33N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,26,30H,1,4-5,14-16,18,28-29H2,(H,31,33)/t24-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 6.5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity was determined against bovine thrombin.

J Med Chem 44: 1043-50 (2001)


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