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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50045575   
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
Coagulation factor VII


(Homo sapiens (Human))
BDBM14714
PNG
((2R)-N-[(3-aminobenzene)sulfonyl]-2-[(4-carbamimid...)
Show SMILES CCOc1cc(OCC)c(F)c(c1)[C@@H](Nc1ccc(C(N)=N)c(O)c1)C(=O)NS(=O)(=O)c1cccc(N)c1
Show InChI InChI=1S/C25H28FN5O6S/c1-3-36-16-12-19(22(26)21(13-16)37-4-2)23(30-15-8-9-18(24(28)29)20(32)11-15)25(33)31-38(34,35)17-7-5-6-14(27)10-17/h5-13,23,30,32H,3-4,27H2,1-2H3,(H3,28,29)(H,31,33)/t23-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (Human))
BDBM50440849
PNG
(CHEMBL2431588)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H30N4O5S/c1-4-34-23-16-19(12-15-22(23)35-17(2)3)24(29-20-13-10-18(11-14-20)25(27)28)26(31)30-36(32,33)21-8-6-5-7-9-21/h5-17,24,29H,4H2,1-3H3,(H3,27,28)(H,30,31)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068982
PNG
(CHEMBL3403479)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(N)=O
Show InChI InChI=1S/C29H31FN6O3/c1-4-38-19-13-22(25(30)24(14-19)39-16(2)3)26(35-18-11-9-17(10-12-18)27(31)32)29-34-15-23(36-29)20-7-5-6-8-21(20)28(33)37/h5-16,26,35H,4H2,1-3H3,(H3,31,32)(H2,33,37)(H,34,36)
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068985
PNG
(CHEMBL3403477)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(C)=O
Show InChI InChI=1S/C30H32FN5O3/c1-5-38-21-14-24(27(31)26(15-21)39-17(2)3)28(35-20-12-10-19(11-13-20)29(32)33)30-34-16-25(36-30)23-9-7-6-8-22(23)18(4)37/h6-17,28,35H,5H2,1-4H3,(H3,32,33)(H,34,36)
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068983
PNG
(CHEMBL3400183)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H30FN5O4/c1-4-38-19-13-22(25(30)24(14-19)39-16(2)3)26(34-18-11-9-17(10-12-18)27(31)32)28-33-15-23(35-28)20-7-5-6-8-21(20)29(36)37/h5-16,26,34H,4H2,1-3H3,(H3,31,32)(H,33,35)(H,36,37)
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6.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068989
PNG
(CHEMBL3403474)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1OC
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-20-14-22(26(30)25(15-20)38-17(2)3)27(34-19-12-10-18(11-13-19)28(31)32)29-33-16-23(35-29)21-8-6-7-9-24(21)36-4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068996
PNG
(CHEMBL3403467)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H30FN5O2/c1-4-35-21-14-22(25(29)24(15-21)36-17(2)3)26(33-20-12-10-19(11-13-20)27(30)31)28-32-16-23(34-28)18-8-6-5-7-9-18/h5-17,26,33H,4H2,1-3H3,(H3,30,31)(H,32,34)
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068984
PNG
(CHEMBL3403478)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(=O)OC
Show InChI InChI=1S/C30H32FN5O4/c1-5-39-20-14-23(26(31)25(15-20)40-17(2)3)27(35-19-12-10-18(11-13-19)28(32)33)29-34-16-24(36-29)21-8-6-7-9-22(21)30(37)38-4/h6-17,27,35H,5H2,1-4H3,(H3,32,33)(H,34,36)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068995
PNG
(CHEMBL3403468)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(cn1C)-c1ccccc1
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-22-15-23(26(30)25(16-22)37-18(2)3)27(33-21-13-11-20(12-14-21)28(31)32)29-34-24(17-35(29)4)19-9-7-6-8-10-19/h6-18,27,33H,5H2,1-4H3,(H3,31,32)
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068992
PNG
(CHEMBL3403471)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-21-14-23(26(30)25(15-21)37-17(2)3)27(34-20-12-10-19(11-13-20)28(31)32)29-33-16-24(35-29)22-9-7-6-8-18(22)4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068993
PNG
(CHEMBL3403470)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(co1)-c1ccccc1
Show InChI InChI=1S/C28H29FN4O3/c1-4-34-21-14-22(25(29)24(15-21)36-17(2)3)26(32-20-12-10-19(11-13-20)27(30)31)28-33-23(16-35-28)18-8-6-5-7-9-18/h5-17,26,32H,4H2,1-3H3,(H3,30,31)
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068991
PNG
(CHEMBL3403472)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1cccc(C)c1
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-22-14-23(26(30)25(15-22)37-17(2)3)27(34-21-11-9-19(10-12-21)28(31)32)29-33-16-24(35-29)20-8-6-7-18(4)13-20/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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37n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM13576
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES CCOc1ccc(cc1OCC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H30N4O3/c1-3-32-22-15-12-20(16-23(22)33-4-2)24(26(31)29-17-18-8-6-5-7-9-18)30-21-13-10-19(11-14-21)25(27)28/h5-16,24,30H,3-4,17H2,1-2H3,(H3,27,28)(H,29,31)
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40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068988
PNG
(CHEMBL3403475)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1cccc(OC)c1
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-22-14-23(26(30)25(15-22)38-17(2)3)27(34-20-11-9-18(10-12-20)28(31)32)29-33-16-24(35-29)19-7-6-8-21(13-19)36-4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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48n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50069008
PNG
(CHEMBL3403461)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nnn[nH]1
Show InChI InChI=1S/C20H24FN7O2/c1-4-29-14-9-15(17(21)16(10-14)30-11(2)3)18(20-25-27-28-26-20)24-13-7-5-12(6-8-13)19(22)23/h5-11,18,24H,4H2,1-3H3,(H3,22,23)(H,25,26,27,28)
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49n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068998
PNG
(CHEMBL3403464)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1ccc2ccccc2n1
Show InChI InChI=1S/C28H29FN4O2/c1-4-34-21-15-22(26(29)25(16-21)35-17(2)3)27(32-20-12-9-19(10-13-20)28(30)31)24-14-11-18-7-5-6-8-23(18)33-24/h5-17,27,32H,4H2,1-3H3,(H3,30,31)
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49n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068981
PNG
(CHEMBL3403480)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(=O)NC
Show InChI InChI=1S/C30H33FN6O3/c1-5-39-20-14-23(26(31)25(15-20)40-17(2)3)27(36-19-12-10-18(11-13-19)28(32)33)29-35-16-24(37-29)21-8-6-7-9-22(21)30(38)34-4/h6-17,27,36H,5H2,1-4H3,(H3,32,33)(H,34,38)(H,35,37)
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68n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068979
PNG
(CHEMBL3403481)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(=O)N(C)C
Show InChI InChI=1S/C31H35FN6O3/c1-6-40-21-15-24(27(32)26(16-21)41-18(2)3)28(36-20-13-11-19(12-14-20)29(33)34)30-35-17-25(37-30)22-9-7-8-10-23(22)31(39)38(4)5/h7-18,28,36H,6H2,1-5H3,(H3,33,34)(H,35,37)
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79n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50069000
PNG
(CHEMBL3403462)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc(cc1)C(N)=N)c1nc2ccccc2s1
Show InChI InChI=1S/C26H28N4O2S/c1-4-31-22-15-18(11-14-21(22)32-16(2)3)24(26-30-20-7-5-6-8-23(20)33-26)29-19-12-9-17(10-13-19)25(27)28/h5-16,24,29H,4H2,1-3H3,(H3,27,28)
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80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068997
PNG
(CHEMBL3403465)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C26H28FN5O2/c1-4-33-18-13-19(23(27)22(14-18)34-15(2)3)24(26-31-20-7-5-6-8-21(20)32-26)30-17-11-9-16(10-12-17)25(28)29/h5-15,24,30H,4H2,1-3H3,(H3,28,29)(H,31,32)
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140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM13558
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...)
Show SMILES CCOc1cc(OCC)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H23N3O4/c1-3-25-15-9-13(10-16(11-15)26-4-2)17(19(23)24)22-14-7-5-12(6-8-14)18(20)21/h5-11,17,22H,3-4H2,1-2H3,(H3,20,21)(H,23,24)
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190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50068983
PNG
(CHEMBL3400183)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H30FN5O4/c1-4-38-19-13-22(25(30)24(14-19)39-16(2)3)26(34-18-11-9-17(10-12-18)27(31)32)28-33-15-23(35-28)20-7-5-6-8-21(20)29(36)37/h5-16,26,34H,4H2,1-3H3,(H3,31,32)(H,33,35)(H,36,37)
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190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 2a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068990
PNG
(CHEMBL3403473)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccc(C)cc1
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-22-14-23(26(30)25(15-22)37-17(2)3)27(34-21-12-10-20(11-13-21)28(31)32)29-33-16-24(35-29)19-8-6-18(4)7-9-19/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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207n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50068992
PNG
(CHEMBL3403471)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-21-14-23(26(30)25(15-21)37-17(2)3)27(34-20-12-10-19(11-13-20)28(31)32)29-33-16-24(35-29)22-9-7-6-8-18(22)4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068999
PNG
(CHEMBL3403463)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc2ccccc2s1
Show InChI InChI=1S/C26H27FN4O2S/c1-4-32-18-13-19(23(27)21(14-18)33-15(2)3)24(26-31-20-7-5-6-8-22(20)34-26)30-17-11-9-16(10-12-17)25(28)29/h5-15,24,30H,4H2,1-3H3,(H3,28,29)
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420n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50068985
PNG
(CHEMBL3403477)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(C)=O
Show InChI InChI=1S/C30H32FN5O3/c1-5-38-21-14-24(27(31)26(15-21)39-17(2)3)28(35-20-12-10-19(11-13-20)29(32)33)30-34-16-25(36-30)23-9-7-6-8-22(23)18(4)37/h6-17,28,35H,5H2,1-4H3,(H3,32,33)(H,34,36)
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430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50068990
PNG
(CHEMBL3403473)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccc(C)cc1
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-22-14-23(26(30)25(15-22)37-17(2)3)27(34-21-12-10-20(11-13-21)28(31)32)29-33-16-24(35-29)19-8-6-18(4)7-9-19/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50068989
PNG
(CHEMBL3403474)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1OC
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-20-14-22(26(30)25(15-20)38-17(2)3)27(34-19-12-10-18(11-13-19)28(31)32)29-33-16-23(35-29)21-8-6-7-9-24(21)36-4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50068991
PNG
(CHEMBL3403472)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1cccc(C)c1
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-22-14-23(26(30)25(15-22)37-17(2)3)27(34-21-11-9-19(10-12-21)28(31)32)29-33-16-24(35-29)20-8-6-7-18(4)13-20/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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450n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50068989
PNG
(CHEMBL3403474)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1OC
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-20-14-22(26(30)25(15-20)38-17(2)3)27(34-19-12-10-18(11-13-19)28(31)32)29-33-16-23(35-29)21-8-6-7-9-24(21)36-4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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460n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50068986
PNG
(CHEMBL3403476)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccc(OC)cc1
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-22-14-23(26(30)25(15-22)38-17(2)3)27(34-20-10-6-19(7-11-20)28(31)32)29-33-16-24(35-29)18-8-12-21(36-4)13-9-18/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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490n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50068991
PNG
(CHEMBL3403472)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1cccc(C)c1
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-22-14-23(26(30)25(15-22)37-17(2)3)27(34-21-11-9-19(10-12-21)28(31)32)29-33-16-24(35-29)20-8-6-7-18(4)13-20/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50069023
PNG
(CHEMBL3403460)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc(cc1)C(N)=N)c1ncc[nH]1
Show InChI InChI=1S/C22H27N5O2/c1-4-28-19-13-16(7-10-18(19)29-14(2)3)20(22-25-11-12-26-22)27-17-8-5-15(6-9-17)21(23)24/h5-14,20,27H,4H2,1-3H3,(H3,23,24)(H,25,26)
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520n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50068986
PNG
(CHEMBL3403476)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccc(OC)cc1
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-22-14-23(26(30)25(15-22)38-17(2)3)27(34-20-10-6-19(7-11-20)28(31)32)29-33-16-24(35-29)18-8-12-21(36-4)13-9-18/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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540n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50068988
PNG
(CHEMBL3403475)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1cccc(OC)c1
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-22-14-23(26(30)25(15-22)38-17(2)3)27(34-20-11-9-18(10-12-20)28(31)32)29-33-16-24(35-29)19-7-6-8-21(13-19)36-4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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560n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50068985
PNG
(CHEMBL3403477)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(C)=O
Show InChI InChI=1S/C30H32FN5O3/c1-5-38-21-14-24(27(31)26(15-21)39-17(2)3)28(35-20-12-10-19(11-13-20)29(32)33)30-34-16-25(36-30)23-9-7-6-8-22(23)18(4)37/h6-17,28,35H,5H2,1-4H3,(H3,32,33)(H,34,36)
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560n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50068989
PNG
(CHEMBL3403474)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1OC
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-20-14-22(26(30)25(15-20)38-17(2)3)27(34-19-12-10-18(11-13-19)28(31)32)29-33-16-23(35-29)21-8-6-7-9-24(21)36-4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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570n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 2a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50068988
PNG
(CHEMBL3403475)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1cccc(OC)c1
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-22-14-23(26(30)25(15-22)38-17(2)3)27(34-20-11-9-18(10-12-20)28(31)32)29-33-16-24(35-29)19-7-6-8-21(13-19)36-4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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580n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50068990
PNG
(CHEMBL3403473)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccc(C)cc1
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-22-14-23(26(30)25(15-22)37-17(2)3)27(34-21-12-10-20(11-13-21)28(31)32)29-33-16-24(35-29)19-8-6-18(4)7-9-19/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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610n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50068986
PNG
(CHEMBL3403476)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccc(OC)cc1
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-22-14-23(26(30)25(15-22)38-17(2)3)27(34-20-10-6-19(7-11-20)28(31)32)29-33-16-24(35-29)18-8-12-21(36-4)13-9-18/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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640n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 2a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50068992
PNG
(CHEMBL3403471)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-21-14-23(26(30)25(15-21)37-17(2)3)27(34-20-12-10-19(11-13-20)28(31)32)29-33-16-24(35-29)22-9-7-6-8-18(22)4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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680n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50068996
PNG
(CHEMBL3403467)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H30FN5O2/c1-4-35-21-14-22(25(29)24(15-21)36-17(2)3)26(33-20-12-10-19(11-13-20)27(30)31)28-32-16-23(34-28)18-8-6-5-7-9-18/h5-17,26,33H,4H2,1-3H3,(H3,30,31)(H,32,34)
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690n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50068992
PNG
(CHEMBL3403471)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-21-14-23(26(30)25(15-21)37-17(2)3)27(34-20-12-10-19(11-13-20)28(31)32)29-33-16-24(35-29)22-9-7-6-8-18(22)4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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710n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 2a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50068991
PNG
(CHEMBL3403472)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1cccc(C)c1
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-22-14-23(26(30)25(15-22)37-17(2)3)27(34-21-11-9-19(10-12-21)28(31)32)29-33-16-24(35-29)20-8-6-7-18(4)13-20/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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750n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 2a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50069063
PNG
(CHEMBL3403459)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1ccccn1
Show InChI InChI=1S/C24H27FN4O2/c1-4-30-18-13-19(22(25)21(14-18)31-15(2)3)23(20-7-5-6-12-28-20)29-17-10-8-16(9-11-17)24(26)27/h5-15,23,29H,4H2,1-3H3,(H3,26,27)
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750n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50068990
PNG
(CHEMBL3403473)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccc(C)cc1
Show InChI InChI=1S/C29H32FN5O2/c1-5-36-22-14-23(26(30)25(15-22)37-17(2)3)27(34-21-12-10-20(11-13-21)28(31)32)29-33-16-24(35-29)19-8-6-18(4)7-9-19/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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760n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 2a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50068996
PNG
(CHEMBL3403467)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H30FN5O2/c1-4-35-21-14-22(25(29)24(15-21)36-17(2)3)26(33-20-12-10-19(11-13-20)27(30)31)28-32-16-23(34-28)18-8-6-5-7-9-18/h5-17,26,33H,4H2,1-3H3,(H3,30,31)(H,32,34)
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760n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50068988
PNG
(CHEMBL3403475)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1cccc(OC)c1
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-22-14-23(26(30)25(15-22)38-17(2)3)27(34-20-11-9-18(10-12-20)28(31)32)29-33-16-24(35-29)19-7-6-8-21(13-19)36-4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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790n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor 2a (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068986
PNG
(CHEMBL3403476)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccc(OC)cc1
Show InChI InChI=1S/C29H32FN5O3/c1-5-37-22-14-23(26(30)25(15-22)38-17(2)3)27(34-20-10-6-19(7-11-20)28(31)32)29-33-16-24(35-29)18-8-12-21(36-4)13-9-18/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
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1.02E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50068982
PNG
(CHEMBL3403479)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(N)=O
Show InChI InChI=1S/C29H31FN6O3/c1-4-38-19-13-22(25(30)24(14-19)39-16(2)3)26(35-18-11-9-17(10-12-18)27(31)32)29-34-15-23(36-29)20-7-5-6-8-21(20)28(33)37/h5-16,26,35H,4H2,1-3H3,(H3,31,32)(H2,33,37)(H,34,36)
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1.05E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin)


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
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