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BDBM50182209 ((R)-1-{1-[(6-carbamimidoyl-pyridin-3-ylmethyl)-carbamoyl]-cyclopropylcarbamoyl}-2-cyclohexyl-ethylamino)-acetic acid::CHEMBL207564

SMILES: NC(=N)c1ccc(CNC(=O)C2(CC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1

InChI Key: InChIKey=RSPXXOXOIPMFSE-QGZVFWFLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50182209   
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
Prothrombin


(Homo sapiens (Human))		BDBM50182209
PNG
(((R)-1-{1-[(6-carbamimidoyl-pyridin-3-ylmethyl)-ca...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(CC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C22H32N6O4/c23-19(24)16-7-6-15(11-25-16)12-27-21(32)22(8-9-22)28-20(31)17(26-13-18(29)30)10-14-4-2-1-3-5-14/h6-7,11,14,17,26H,1-5,8-10,12-13H2,(H3,23,24)(H,27,32)(H,28,31)(H,29,30)/t17-/m1/s1
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PC sid
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Similars
Article
PubMed
n/an/a 4.09E+3n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay

Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair