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BDBM15824 1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-N-(1-ethylpiperidin-4-yl)-1H-indole-2-carboxamide::2-carboxyindole-based inhibitor 8

SMILES: CCN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1

InChI Key: InChIKey=ZBYUTHMPEVJBEL-UHFFFAOYSA-N

Data: 2 KI

PDB links: 2 PDB IDs contain this monomer as substructures. 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 2 hits for monomerid = 15824   
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))
BDBM15824
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CCN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C24H25ClN4O2S/c1-2-28-11-9-17(10-12-28)26-24(30)20-13-16-5-3-4-6-19(16)29(20)15-18-14-21(31-27-18)22-7-8-23(25)32-22/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,26,30)
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Article
PubMed
18 -10.6n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4197-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q2610XKM
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM15824
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CCN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C24H25ClN4O2S/c1-2-28-11-9-17(10-12-28)26-24(30)20-13-16-5-3-4-6-19(16)29(20)15-18-14-21(31-27-18)22-7-8-23(25)32-22/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+4>-6.82n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


Bioorg Med Chem Lett 14: 4197-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q2610XKM
More data for this
Ligand-Target Pair