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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50192764   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kallikrein-1


(Homo sapiens (Human))
BDBM50192764
PNG
(CHEMBL3934882)
Show SMILES C[C@H]1COC(=O)Nc2ccc(C3CC3)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1S/C33H34FN5O3/c1-18-12-21-6-9-25(18)19(2)17-42-33(41)38-23-7-10-26(20-4-5-20)22(13-23)16-39(3)32(40)30(21)37-24-8-11-27-28(14-24)29(34)15-36-31(27)35/h6-15,19-20,30,37H,4-5,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/m0/s1
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15n/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
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50192764
PNG
(CHEMBL3934882)
Show SMILES C[C@H]1COC(=O)Nc2ccc(C3CC3)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1S/C33H34FN5O3/c1-18-12-21-6-9-25(18)19(2)17-42-33(41)38-23-7-10-26(20-4-5-20)22(13-23)16-39(3)32(40)30(21)37-24-8-11-27-28(14-24)29(34)15-36-31(27)35/h6-15,19-20,30,37H,4-5,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/m0/s1
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18n/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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50192764
PNG
(CHEMBL3934882)
Show SMILES C[C@H]1COC(=O)Nc2ccc(C3CC3)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1S/C33H34FN5O3/c1-18-12-21-6-9-25(18)19(2)17-42-33(41)38-23-7-10-26(20-4-5-20)22(13-23)16-39(3)32(40)30(21)37-24-8-11-27-28(14-24)29(34)15-36-31(27)35/h6-15,19-20,30,37H,4-5,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/m0/s1
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PubMed
220n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50192764
PNG
(CHEMBL3934882)
Show SMILES C[C@H]1COC(=O)Nc2ccc(C3CC3)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1S/C33H34FN5O3/c1-18-12-21-6-9-25(18)19(2)17-42-33(41)38-23-7-10-26(20-4-5-20)22(13-23)16-39(3)32(40)30(21)37-24-8-11-27-28(14-24)29(34)15-36-31(27)35/h6-15,19-20,30,37H,4-5,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/m0/s1
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Article
PubMed
3.00E+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
Prothrombin


(Homo sapiens (Human))
BDBM50192764
PNG
(CHEMBL3934882)
Show SMILES C[C@H]1COC(=O)Nc2ccc(C3CC3)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1S/C33H34FN5O3/c1-18-12-21-6-9-25(18)19(2)17-42-33(41)38-23-7-10-26(20-4-5-20)22(13-23)16-39(3)32(40)30(21)37-24-8-11-27-28(14-24)29(34)15-36-31(27)35/h6-15,19-20,30,37H,4-5,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/m0/s1
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Article
PubMed
1.80E+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