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PDB code 2EI6

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X

  (54/54 = 100%)
(Homo sapiens (Human))
BDBM50214995
PNG
(CHEMBL245678 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a after 10 seconds


Bioorg Med Chem Lett 17: 4683-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.068
BindingDB Entry DOI: 10.7270/Q2183660
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X

  (54/54 = 100%)
(Homo sapiens (Human))
BDBM50214995
PNG
(CHEMBL245678 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4587-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.031
BindingDB Entry DOI: 10.7270/Q2X92B3B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X

  (54/54 = 100%)
(Homo sapiens (Human))
BDBM50214995
PNG
(CHEMBL245678 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X

  (54/54 = 100%)
(Homo sapiens (Human))
BDBM50214995
PNG
(CHEMBL245678 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1
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n/an/a 16n/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
3D
3D Structure (crystal)
Coagulation factor X

  (54/54 = 100%)
(Homo sapiens (Human))
BDBM50214995
PNG
(CHEMBL245678 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 782-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.037
BindingDB Entry DOI: 10.7270/Q20P10WJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X

  (54/54 = 100%)
(Homo sapiens (Human))
BDBM50214995
PNG
(CHEMBL245678 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1
PDB
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PubMed
n/an/a 41n/an/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a after 10 seconds


Bioorg Med Chem Lett 17: 4683-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.068
BindingDB Entry DOI: 10.7270/Q2183660
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output