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BDBM12390 1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-3-fluoro-1H-indole-2-carboxylic Acid (1-Isopropylpiperidin-4-yl)amide::1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-3-fluoro-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide::2-Carboxyindole Scaffold 22

SMILES: CC(C)N1CCC(CC1)NC(=O)c1c(F)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1

InChI Key: InChIKey=KPIQURKZNMPNNM-UHFFFAOYSA-N

Data: 1 KI

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12390   
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))
BDBM12390
PNG
(1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-3...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(F)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26ClFN4O2S/c1-15(2)30-11-9-16(10-12-30)28-25(32)24-23(27)18-5-3-4-6-19(18)31(24)14-17-13-20(33-29-17)21-7-8-22(26)34-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,32)
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2n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair