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BDBM12400 1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-carboxylic acid (1-isopropylpiperidin-4-yl)-amide::1-{[(4-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide::2-Carboxyindole Scaffold 45::2-carboxyindole 27

SMILES: CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=BDLMBQRBNPDCSS-UHFFFAOYSA-N

Data: 3 KI

PDB links: 1 PDB ID matches 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 3 hits for monomerid = 12400   
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))
BDBM12400
PNG
(1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)
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Article
PubMed
3n/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
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12400
PNG
(1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)
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Article
PubMed
3 -11.6n/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: 4191-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.020
BindingDB Entry DOI: 10.7270/Q22805WQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM12400
PNG
(1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)
PDB

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antibodypedia
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PC cid
PC sid
PDB
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: 4191-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.020
BindingDB Entry DOI: 10.7270/Q22805WQ
More data for this
Ligand-Target Pair