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BDBM50255207 CHEMBL474459::N-{(1R,2S,5S)-2-{[(5-Chloroindol-2-yl)carbonyl]amino}-5-[(2-hydroxyethyl)(methyl)carbamoyl]cyclohexyl}-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide

SMILES: CN(CCO)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1

InChI Key: InChIKey=CSQOMQKOXBMZBO-PAXLWEDBSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255207   
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))
BDBM50255207
PNG
(CHEMBL474459 | N-{(1R,2S,5S)-2-{[(5-Chloroindol-2-...)
Show SMILES CN(CCO)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
Show InChI InChI=1S/C27H33ClN6O4S/c1-33-8-7-20-23(14-33)39-26(32-20)25(37)31-21-12-15(27(38)34(2)9-10-35)3-5-19(21)30-24(36)22-13-16-11-17(28)4-6-18(16)29-22/h4,6,11,13,15,19,21,29,35H,3,5,7-10,12,14H2,1-2H3,(H,30,36)(H,31,37)/t15-,19-,21+/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem 17: 1193-206 (2009)


Article DOI: 10.1016/j.bmc.2008.12.037
BindingDB Entry DOI: 10.7270/Q2V69JGR
More data for this
Ligand-Target Pair