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BDBM50192765 CHEMBL3895930

SMILES: C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCOCC1)C(O)=O

InChI Key: InChIKey=JTCVYIPNQDUOGW-JCOAXYOVSA-N

Data: 5 KI

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 5 hits for monomerid = 50192765   
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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192765
PNG
(CHEMBL3895930)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCOCC1)C(O)=O |r|
Show InChI InChI=1S/C36H38FN5O6/c1-20-14-22-4-7-26(20)21(2)19-48-35(46)41-24-6-9-29(36(34(44)45)10-12-47-13-11-36)23(15-24)18-42(3)33(43)31(22)40-25-5-8-27-28(16-25)30(37)17-39-32(27)38/h4-9,14-17,21,31,40H,10-13,18-19H2,1-3H3,(H2,38,39)(H,41,46)(H,44,45)/t21-,31+/m0/s1
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Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50192765
PNG
(CHEMBL3895930)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCOCC1)C(O)=O |r|
Show InChI InChI=1S/C36H38FN5O6/c1-20-14-22-4-7-26(20)21(2)19-48-35(46)41-24-6-9-29(36(34(44)45)10-12-47-13-11-36)23(15-24)18-42(3)33(43)31(22)40-25-5-8-27-28(16-25)30(37)17-39-32(27)38/h4-9,14-17,21,31,40H,10-13,18-19H2,1-3H3,(H2,38,39)(H,41,46)(H,44,45)/t21-,31+/m0/s1
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Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) at 25 degC by chromogenic substrate assay


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50192765
PNG
(CHEMBL3895930)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCOCC1)C(O)=O |r|
Show InChI InChI=1S/C36H38FN5O6/c1-20-14-22-4-7-26(20)21(2)19-48-35(46)41-24-6-9-29(36(34(44)45)10-12-47-13-11-36)23(15-24)18-42(3)33(43)31(22)40-25-5-8-27-28(16-25)30(37)17-39-32(27)38/h4-9,14-17,21,31,40H,10-13,18-19H2,1-3H3,(H2,38,39)(H,41,46)(H,44,45)/t21-,31+/m0/s1
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Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of activated protein C (unknown origin) at 37 degC by chromogenic substrate assay


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM50192765
PNG
(CHEMBL3895930)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCOCC1)C(O)=O |r|
Show InChI InChI=1S/C36H38FN5O6/c1-20-14-22-4-7-26(20)21(2)19-48-35(46)41-24-6-9-29(36(34(44)45)10-12-47-13-11-36)23(15-24)18-42(3)33(43)31(22)40-25-5-8-27-28(16-25)30(37)17-39-32(27)38/h4-9,14-17,21,31,40H,10-13,18-19H2,1-3H3,(H2,38,39)(H,41,46)(H,44,45)/t21-,31+/m0/s1
PDB

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Article
PubMed
5.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein1 at 37 degC by chromogenic substrate assay


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50192765
PNG
(CHEMBL3895930)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCOCC1)C(O)=O |r|
Show InChI InChI=1S/C36H38FN5O6/c1-20-14-22-4-7-26(20)21(2)19-48-35(46)41-24-6-9-29(36(34(44)45)10-12-47-13-11-36)23(15-24)18-42(3)33(43)31(22)40-25-5-8-27-28(16-25)30(37)17-39-32(27)38/h4-9,14-17,21,31,40H,10-13,18-19H2,1-3H3,(H2,38,39)(H,41,46)(H,44,45)/t21-,31+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
>1.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) at 25 degC by chromogenic substrate assay


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair