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PubMed code 18054227

Compile data set for download or QSAR
Found 45 hits of 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM12693
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
Show InChI InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50228913
PNG
(1-(4-{2-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifl...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(F)(F)F
Show InChI InChI=1S/C24H15F4N5O3/c25-17-11-14(32-8-2-1-3-22(32)35)5-4-13(17)9-19(34)18-12-21(24(26,27)28)30-33(18)15-6-7-20-16(10-15)23(29)31-36-20/h1-8,10-12H,9H2,(H2,29,31)
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0.0330n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228907
PNG
(1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H18F4N4O4S/c1-39(36,37)23-5-3-2-4-17(23)14-6-7-15(19(27)10-14)11-21(35)20-13-24(26(28,29)30)32-34(20)16-8-9-22-18(12-16)25(31)33-38-22/h2-10,12-13H,11H2,1H3,(H2,31,33)
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228926
PNG
(1-(3-fluoro-4-(2-(1-(4-methoxyphenyl)-3-(trifluoro...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(F)(F)F
Show InChI InChI=1S/C24H17F4N3O3/c1-34-18-9-7-16(8-10-18)31-20(14-22(29-31)24(26,27)28)21(32)12-15-5-6-17(13-19(15)25)30-11-3-2-4-23(30)33/h2-11,13-14H,12H2,1H3
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0.0900n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228914
PNG
(5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)ace...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C24H19FN4O4/c1-33-18-9-7-16(8-10-18)29-21(14-20(27-29)24(26)32)22(30)12-15-5-6-17(13-19(15)25)28-11-3-2-4-23(28)31/h2-11,13-14H,12H2,1H3,(H2,26,32)
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0.110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228909
PNG
(4'-{2-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluo...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Cc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H17F4N5O4S/c26-18-9-13(16-3-1-2-4-22(16)39(31,36)37)5-6-14(18)10-20(35)19-12-23(25(27,28)29)32-34(19)15-7-8-21-17(11-15)24(30)33-38-21/h1-9,11-12H,10H2,(H2,30,33)(H2,31,36,37)
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0.160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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0.190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50228912
PNG
(1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Cc1ccc(cc1)-c1ccccc1CN1CCCC1)C(F)(F)F
Show InChI InChI=1S/C30H26F3N5O2/c31-30(32,33)28-17-25(38(35-28)22-11-12-27-24(16-22)29(34)36-40-27)26(39)15-19-7-9-20(10-8-19)23-6-2-1-5-21(23)18-37-13-3-4-14-37/h1-2,5-12,16-17H,3-4,13-15,18H2,(H2,34,36)
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0.320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228922
PNG
(1-(4-{2-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifl...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Cc1ccc(cc1)N1CCCCC1=O)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O3/c25-24(26,27)21-13-18(32(29-21)16-8-9-20-17(12-16)23(28)30-35-20)19(33)11-14-4-6-15(7-5-14)31-10-2-1-3-22(31)34/h4-9,12-13H,1-3,10-11H2,(H2,28,30)
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0.340n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228919
PNG
(4'-{2-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluo...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H18F3N5O4S/c26-25(27,28)23-13-19(33(31-23)16-9-10-21-18(12-16)24(29)32-37-21)20(34)11-14-5-7-15(8-6-14)17-3-1-2-4-22(17)38(30,35)36/h1-10,12-13H,11H2,(H2,29,32)(H2,30,35,36)
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0.530n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228917
PNG
(1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(CC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C28H23F4N5O2/c1-36(2)15-18-5-3-4-6-20(18)16-7-8-17(22(29)11-16)12-24(38)23-14-26(28(30,31)32)34-37(23)19-9-10-25-21(13-19)27(33)35-39-25/h3-11,13-14H,12,15H2,1-2H3,(H2,33,35)
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0.570n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228924
PNG
(1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H19F3N4O4S/c1-38(35,36)23-5-3-2-4-18(23)16-8-6-15(7-9-16)12-21(34)20-14-24(26(27,28)29)31-33(20)17-10-11-22-19(13-17)25(30)32-37-22/h2-11,13-14H,12H2,1H3,(H2,30,32)
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0.680n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228915
PNG
(1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...)
Show SMILES CN(C)Cc1nccn1-c1ccc(CC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N7O2/c1-33(2)14-23-30-9-10-34(23)16-5-3-15(4-6-16)11-20(36)19-13-22(25(26,27)28)31-35(19)17-7-8-21-18(12-17)24(29)32-37-21/h3-10,12-13H,11,14H2,1-2H3,(H2,29,32)
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0.970n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228906
PNG
(1-(4-(2-(1-(4-methoxyphenyl)-3-(trifluoromethyl)-1...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1)N1CCCCC1=O)C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O3/c1-33-19-11-9-18(10-12-19)30-20(15-22(28-30)24(25,26)27)21(31)14-16-5-7-17(8-6-16)29-13-3-2-4-23(29)32/h5-12,15H,2-4,13-14H2,1H3
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228921
PNG
((1-(3-aminobenzo[d]isoxazol-5-yl)-3-(trifluorometh...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc2N(CCc2c1)C(=O)C1CC(=NN1c1ccc2onc(N)c2c1)C(F)(F)F |c:26|
Show InChI InChI=1S/C27H22F3N5O4S/c1-40(37,38)23-5-3-2-4-18(23)15-6-8-20-16(12-15)10-11-34(20)26(36)21-14-24(27(28,29)30)32-35(21)17-7-9-22-19(13-17)25(31)33-39-22/h2-9,12-13,21H,10-11,14H2,1H3,(H2,31,33)
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228925
PNG
(4'-{2-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluo...)
Show SMILES CC(C(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F)c1ccc(cc1F)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C26H19F4N5O4S/c1-13(16-8-6-14(10-19(16)27)17-4-2-3-5-22(17)40(32,37)38)24(36)20-12-23(26(28,29)30)33-35(20)15-7-9-21-18(11-15)25(31)34-39-21/h2-13H,1H3,(H2,31,34)(H2,32,37,38)
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2.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228911
PNG
(1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...)
Show SMILES CC(C(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F)c1ccc(cc1F)-c1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C27H20F4N4O4S/c1-14(17-9-7-15(11-20(17)28)18-5-3-4-6-23(18)40(2,37)38)25(36)21-13-24(27(29,30)31)33-35(21)16-8-10-22-19(12-16)26(32)34-39-22/h3-14H,1-2H3,(H2,32,34)
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2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228910
PNG
(2-[2'-((S)-3-hydroxy-pyrrolidin-1-ylmethyl)-biphen...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1)-c1ccccc1CN1CC[C@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C30H28F3N3O3/c1-39-25-12-10-23(11-13-25)36-27(17-29(34-36)30(31,32)33)28(38)16-20-6-8-21(9-7-20)26-5-3-2-4-22(26)18-35-15-14-24(37)19-35/h2-13,17,24,37H,14-16,18-19H2,1H3/t24-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228920
PNG
(1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...)
Show SMILES CC(C(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F)c1ccc(cc1)-c1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C27H21F3N4O4S/c1-15(16-7-9-17(10-8-16)19-5-3-4-6-23(19)39(2,36)37)25(35)21-14-24(27(28,29)30)32-34(21)18-11-12-22-20(13-18)26(31)33-38-22/h3-15H,1-2H3,(H2,31,33)
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228908
PNG
(3'-fluoro-4'-{2-[2-(4-methoxy-phenyl)-5-trifluorom...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H19F4N3O4S/c1-36-18-10-8-17(9-11-18)32-21(14-24(31-32)25(27,28)29)22(33)13-16-7-6-15(12-20(16)26)19-4-2-3-5-23(19)37(30,34)35/h2-12,14H,13H2,1H3,(H2,30,34,35)
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6.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228923
PNG
(4'-{2-[2-(4-methoxy-phenyl)-5-trifluoromethyl-2H-p...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H20F3N3O4S/c1-35-19-12-10-18(11-13-19)31-21(15-24(30-31)25(26,27)28)22(32)14-16-6-8-17(9-7-16)20-4-2-3-5-23(20)36(29,33)34/h2-13,15H,14H2,1H3,(H2,29,33,34)
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228918
PNG
(4'-{2-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluo...)
Show SMILES CC(C(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F)c1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C26H20F3N5O4S/c1-14(15-6-8-16(9-7-15)18-4-2-3-5-22(18)39(31,36)37)24(35)20-13-23(26(27,28)29)32-34(20)17-10-11-21-19(12-17)25(30)33-38-21/h2-14H,1H3,(H2,30,33)(H2,31,36,37)
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22n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM12693
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
Show InChI InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1
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35n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228912
PNG
(1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Cc1ccc(cc1)-c1ccccc1CN1CCCC1)C(F)(F)F
Show InChI InChI=1S/C30H26F3N5O2/c31-30(32,33)28-17-25(38(35-28)22-11-12-27-24(16-22)29(34)36-40-27)26(39)15-19-7-9-20(10-8-19)23-6-2-1-5-21(23)18-37-13-3-4-14-37/h1-2,5-12,16-17H,3-4,13-15,18H2,(H2,34,36)
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310n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228913
PNG
(1-(4-{2-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifl...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(F)(F)F
Show InChI InChI=1S/C24H15F4N5O3/c25-17-11-14(32-8-2-1-3-22(32)35)5-4-13(17)9-19(34)18-12-21(24(26,27)28)30-33(18)15-6-7-20-16(10-15)23(29)31-36-20/h1-8,10-12H,9H2,(H2,29,31)
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349n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228915
PNG
(1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...)
Show SMILES CN(C)Cc1nccn1-c1ccc(CC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N7O2/c1-33(2)14-23-30-9-10-34(23)16-5-3-15(4-6-16)11-20(36)19-13-22(25(26,27)28)31-35(19)17-7-8-21-18(12-17)24(29)32-37-21/h3-10,12-13H,11,14H2,1-2H3,(H2,29,32)
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350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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540n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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>2.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228910
PNG
(2-[2'-((S)-3-hydroxy-pyrrolidin-1-ylmethyl)-biphen...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1)-c1ccccc1CN1CC[C@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C30H28F3N3O3/c1-39-25-12-10-23(11-13-25)36-27(17-29(34-36)30(31,32)33)28(38)16-20-6-8-21(9-7-20)26-5-3-2-4-22(26)18-35-15-14-24(37)19-35/h2-13,17,24,37H,14-16,18-19H2,1H3/t24-/m0/s1
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>6.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50228914
PNG
(5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)ace...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C24H19FN4O4/c1-33-18-9-7-16(8-10-18)29-21(14-20(27-29)24(26)32)22(30)12-15-5-6-17(13-19(15)25)28-11-3-2-4-23(28)31/h2-11,13-14H,12H2,1H3,(H2,26,32)
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8.90E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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>9.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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>1.20E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228926
PNG
(1-(3-fluoro-4-(2-(1-(4-methoxyphenyl)-3-(trifluoro...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(F)(F)F
Show InChI InChI=1S/C24H17F4N3O3/c1-34-18-9-7-16(8-10-18)31-20(14-22(29-31)24(26,27)28)21(32)12-15-5-6-17(13-19(15)25)30-11-3-2-4-23(30)33/h2-11,13-14H,12H2,1H3
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50228914
PNG
(5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)ace...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C24H19FN4O4/c1-33-18-9-7-16(8-10-18)29-21(14-20(27-29)24(26)32)22(30)12-15-5-6-17(13-19(15)25)28-11-3-2-4-23(28)31/h2-11,13-14H,12H2,1H3,(H2,26,32)
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50228914
PNG
(5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)ace...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C24H19FN4O4/c1-33-18-9-7-16(8-10-18)29-21(14-20(27-29)24(26)32)22(30)12-15-5-6-17(13-19(15)25)28-11-3-2-4-23(28)31/h2-11,13-14H,12H2,1H3,(H2,26,32)
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228914
PNG
(5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)ace...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C24H19FN4O4/c1-33-18-9-7-16(8-10-18)29-21(14-20(27-29)24(26)32)22(30)12-15-5-6-17(13-19(15)25)28-11-3-2-4-23(28)31/h2-11,13-14H,12H2,1H3,(H2,26,32)
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228906
PNG
(1-(4-(2-(1-(4-methoxyphenyl)-3-(trifluoromethyl)-1...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1)N1CCCCC1=O)C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O3/c1-33-19-11-9-18(10-12-19)30-20(15-22(28-30)24(25,26)27)21(31)14-16-5-7-17(8-6-16)29-13-3-2-4-23(29)32/h5-12,15H,2-4,13-14H2,1H3
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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>2.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human activated protein C


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228923
PNG
(4'-{2-[2-(4-methoxy-phenyl)-5-trifluoromethyl-2H-p...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H20F3N3O4S/c1-35-19-12-10-18(11-13-19)31-21(15-24(30-31)25(26,27)28)22(32)14-16-6-8-17(9-7-16)20-4-2-3-5-23(20)36(29,33)34/h2-13,15H,14H2,1H3,(H2,29,33,34)
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>2.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228908
PNG
(3'-fluoro-4'-{2-[2-(4-methoxy-phenyl)-5-trifluorom...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H19F4N3O4S/c1-36-18-10-8-17(9-11-18)32-21(14-24(31-32)25(27,28)29)22(33)13-16-7-6-15(12-20(16)26)19-4-2-3-5-23(19)37(30,34)35/h2-12,14H,13H2,1H3,(H2,30,34,35)
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>2.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50228914
PNG
(5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)ace...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C24H19FN4O4/c1-33-18-9-7-16(8-10-18)29-21(14-20(27-29)24(26)32)22(30)12-15-5-6-17(13-19(15)25)28-11-3-2-4-23(28)31/h2-11,13-14H,12H2,1H3,(H2,26,32)
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>2.80E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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>3.30E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human tPA


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50228914
PNG
(5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)ace...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C24H19FN4O4/c1-33-18-9-7-16(8-10-18)29-21(14-20(27-29)24(26)32)22(30)12-15-5-6-17(13-19(15)25)28-11-3-2-4-23(28)31/h2-11,13-14H,12H2,1H3,(H2,26,32)
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>3.80E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human activated protein C


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50228914
PNG
(5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)ace...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C24H19FN4O4/c1-33-18-9-7-16(8-10-18)29-21(14-20(27-29)24(26)32)22(30)12-15-5-6-17(13-19(15)25)28-11-3-2-4-23(28)31/h2-11,13-14H,12H2,1H3,(H2,26,32)
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>4.30E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human tPA


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%