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BDBM12388 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-4,7-dimethyl-1H-indole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide::1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-4,7-dimethyl-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide::2-Carboxyindole Scaffold 38

SMILES: CC(C)N1CCC(CC1)NC(=O)c1cc2c(C)ccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1

InChI Key: InChIKey=UUWXQABINFEYRX-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 = 12388   
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))
BDBM12388
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2c(C)ccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C27H31ClN4O2S/c1-16(2)31-11-9-19(10-12-31)29-27(33)22-14-21-17(3)5-6-18(4)26(21)32(22)15-20-13-23(34-30-20)24-7-8-25(28)35-24/h5-8,13-14,16,19H,9-12,15H2,1-4H3,(H,29,33)
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1n/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