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BDBM50125037 CHEMBL435059::N-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-[(R)-2-oxo-3-(3-oxo-3-piperidin-1-yl-propyl)-4-phenylmethanesulfonyl-piperazin-1-yl]-acetamide

SMILES: NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CCC(=O)N2CCCCC2)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1

InChI Key: InChIKey=MYQKBPJRAYNLQP-BJKOFHAPSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50125037   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50125037
PNG
(CHEMBL435059 | N-[(S)-4-Guanidino-1-(thiazole-2-ca...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CCC(=O)N2CCCCC2)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C30H42N8O6S2/c31-30(32)34-13-7-10-23(27(41)28-33-14-19-45-28)35-25(39)20-37-17-18-38(46(43,44)21-22-8-3-1-4-9-22)24(29(37)42)11-12-26(40)36-15-5-2-6-16-36/h1,3-4,8-9,14,19,23-24H,2,5-7,10-13,15-18,20-21H2,(H,35,39)(H4,31,32,34)/t23-,24+/m0/s1
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against factor Xa


Bioorg Med Chem Lett 13: 729-32 (2003)


Article DOI: 10.1016/s0960-894x(02)01038-7
BindingDB Entry DOI: 10.7270/Q2T72GTS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50125037
PNG
(CHEMBL435059 | N-[(S)-4-Guanidino-1-(thiazole-2-ca...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CCC(=O)N2CCCCC2)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C30H42N8O6S2/c31-30(32)34-13-7-10-23(27(41)28-33-14-19-45-28)35-25(39)20-37-17-18-38(46(43,44)21-22-8-3-1-4-9-22)24(29(37)42)11-12-26(40)36-15-5-2-6-16-36/h1,3-4,8-9,14,19,23-24H,2,5-7,10-13,15-18,20-21H2,(H,35,39)(H4,31,32,34)/t23-,24+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against serine protease thrombin


Bioorg Med Chem Lett 13: 729-32 (2003)


Article DOI: 10.1016/s0960-894x(02)01038-7
BindingDB Entry DOI: 10.7270/Q2T72GTS
More data for this
Ligand-Target Pair