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Compile Data Set for Download or QSAR

Found 7562 hits with Last Name = 'chen' and Initial = 'd'   
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))
BDBM17135
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CNc1nccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C23H19Cl3N6O3S/c1-27-23-28-5-6-32(23)10-12-11-36-20(18(12)26)22(34)31-19-15(7-14(25)8-16(19)35-2)21(33)30-17-4-3-13(24)9-29-17/h3-9,11H,10H2,1-2H3,(H,27,28)(H,31,34)(H,29,30,33)
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0.00500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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


(Homo sapiens (Human))
BDBM50377655
PNG
(CHEMBL260160)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1F)-n1ccccc1=O
Show InChI InChI=1S/C25H17Cl2FN4O4/c1-36-20-11-15(27)10-18(25(35)30-21-8-5-14(26)13-29-21)23(20)31-24(34)17-7-6-16(12-19(17)28)32-9-3-2-4-22(32)33/h2-13H,1H3,(H,31,34)(H,29,30,35)
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0.00500n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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0.0130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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
Coagulation factor X


(Homo sapiens (Human))
BDBM50377635
PNG
(CHEMBL402980)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C25H18Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h2-14H,1H3,(H,30,33)(H,28,29,34)
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0.0130n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243592
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O2/c1-37-22-10-8-21(9-11-22)35-24-23(25(32-35)28(29,30)31)12-17-34(26(24)36)20-6-4-19(5-7-20)27(13-14-27)18-33-15-2-3-16-33/h4-11H,2-3,12-18H2,1H3
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0.0210n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50243668
PNG
(1-(4-methoxyphenyl)-6-(4-(1-((2-methyl-1H-imidazol...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(Cn2ccnc2C)CC1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N5O2/c1-18-32-14-16-34(18)17-27(12-13-27)19-3-5-20(6-4-19)35-15-11-23-24(26(35)37)36(33-25(23)28(29,30)31)21-7-9-22(38-2)10-8-21/h3-10,14,16H,11-13,15,17H2,1-2H3
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0.0250n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50377637
PNG
(CHEMBL257398)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)-n2ccccc2=O)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H19ClN4O3/c1-16-5-11-21(20(14-16)25(33)29-22-12-8-18(26)15-27-22)28-24(32)17-6-9-19(10-7-17)30-13-3-2-4-23(30)31/h2-15H,1H3,(H,28,32)(H,27,29,33)
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0.0280n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
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
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 Company

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


(Homo sapiens (Human))
BDBM50243540
PNG
(6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O2/c1-31(2)16-25(13-14-25)17-4-6-18(7-5-17)32-15-12-21-22(24(32)34)33(30-23(21)26(27,28)29)19-8-10-20(35-3)11-9-19/h4-11H,12-16H2,1-3H3
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0.0350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243340
PNG
((R)-6-(4-(1-((3-hydroxypyrrolidin-1-yl)methyl)cycl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CC[C@@H](O)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O3/c1-38-22-8-6-20(7-9-22)35-24-23(25(32-35)28(29,30)31)11-15-34(26(24)37)19-4-2-18(3-5-19)27(12-13-27)17-33-14-10-21(36)16-33/h2-9,21,36H,10-17H2,1H3/t21-/m1/s1
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0.0380n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243590
PNG
(6-(4-(1-((isopropylamino)methyl)cyclopropyl)phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CNC(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C27H29F3N4O2/c1-17(2)31-16-26(13-14-26)18-4-6-19(7-5-18)33-15-12-22-23(25(33)35)34(32-24(22)27(28,29)30)20-8-10-21(36-3)11-9-20/h4-11,17,31H,12-16H2,1-3H3
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0.0420n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50249295
PNG
(CHEMBL471725 | N-(5-chloropyridin-2-yl)-2-(4-(N,N-...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H20ClN5O2/c1-28(2)20(24)14-7-9-15(10-8-14)21(29)26-18-6-4-3-5-17(18)22(30)27-19-12-11-16(23)13-25-19/h3-13,24H,1-2H3,(H,26,29)(H,25,27,30)
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0.0440n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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
Coagulation factor X


(Homo sapiens (Human))
BDBM50193861
PNG
(5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31)
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0.0440n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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
Coagulation factor X


(Homo sapiens (Human))
BDBM50080514
PNG
(3-[(R)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m1/s1
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0.0470n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50377629
PNG
(CHEMBL260086)
Show SMILES Oc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C24H20Cl2N4O4/c25-15-6-9-20(27-13-15)28-24(34)18-11-16(26)12-19(31)22(18)29-23(33)14-4-7-17(8-5-14)30-10-2-1-3-21(30)32/h4-9,11-13,31H,1-3,10H2,(H,29,33)(H,27,28,34)
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0.0470n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243630
PNG
(1-(4-methoxyphenyl)-6-(4-(1-((thiazol-2-ylamino)me...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CNc2nccs2)CC1)C(F)(F)F
Show InChI InChI=1S/C27H24F3N5O2S/c1-37-20-8-6-19(7-9-20)35-22-21(23(33-35)27(28,29)30)10-14-34(24(22)36)18-4-2-17(3-5-18)26(11-12-26)16-32-25-31-13-15-38-25/h2-9,13,15H,10-12,14,16H2,1H3,(H,31,32)
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0.0540n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243669
PNG
(CHEMBL511486 | N-((1-(4-(1-(4-methoxyphenyl)-7-oxo...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C(C)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3/c1-17(35)32(2)16-26(13-14-26)18-4-6-19(7-5-18)33-15-12-22-23(25(33)36)34(31-24(22)27(28,29)30)20-8-10-21(37-3)11-9-20/h4-11H,12-16H2,1-3H3
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0.0550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50328717
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-3-methoxy-2-[4-...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H22Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h5-10,12-14H,2-4,11H2,1H3,(H,30,33)(H,28,29,34)
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0.0570n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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
Coagulation factor X


(Homo sapiens (Human))
BDBM50328717
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-3-methoxy-2-[4-...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H22Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h5-10,12-14H,2-4,11H2,1H3,(H,30,33)(H,28,29,34)
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0.0570n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192770
PNG
(CHEMBL3956096)
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(CCCCC1)C(O)=O
Show InChI InChI=1S/C37H40FN5O5/c1-21-15-23-7-10-27(21)22(2)20-48-36(47)42-25-9-12-30(37(35(45)46)13-5-4-6-14-37)24(16-25)19-43(3)34(44)32(23)41-26-8-11-28-29(17-26)31(38)18-40-33(28)39/h7-12,15-18,22,32,41H,4-6,13-14,19-20H2,1-3H3,(H2,39,40)(H,42,47)(H,45,46)/t22-,32+/m0/s1
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0.0600n/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
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50377638
PNG
(CHEMBL257400)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)nc1
Show InChI InChI=1S/C24H16Cl2N4O3/c25-16-6-10-20(19(13-16)24(33)29-21-11-7-17(26)14-27-21)28-23(32)15-4-8-18(9-5-15)30-12-2-1-3-22(30)31/h1-14H,(H,28,32)(H,27,29,33)
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0.0600n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243628
PNG
(1-(4-methoxyphenyl)-6-(4-(1-(morpholinomethyl)cycl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O3/c1-37-22-8-6-21(7-9-22)35-24-23(25(32-35)28(29,30)31)10-13-34(26(24)36)20-4-2-19(3-5-20)27(11-12-27)18-33-14-16-38-17-15-33/h2-9H,10-18H2,1H3
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0.0640n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50377628
PNG
(CHEMBL261536)
Show SMILES CN(C)CCOc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C28H29Cl2N5O4/c1-34(2)13-14-39-23-16-20(30)15-22(28(38)32-24-11-8-19(29)17-31-24)26(23)33-27(37)18-6-9-21(10-7-18)35-12-4-3-5-25(35)36/h6-11,15-17H,3-5,12-14H2,1-2H3,(H,33,37)(H,31,32,38)
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0.0650n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243670
PNG
(CHEMBL471734 | N-((1-(4-(1-(4-methoxyphenyl)-7-oxo...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)S(C)(=O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O4S/c1-31(38(3,35)36)16-25(13-14-25)17-4-6-18(7-5-17)32-15-12-21-22(24(32)34)33(30-23(21)26(27,28)29)19-8-10-20(37-2)11-9-19/h4-11H,12-16H2,1-3H3
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0.0740n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0800n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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


(Homo sapiens (Human))
BDBM50084664
PNG
(({3-(5-Carbamimidoyl-2-hydroxy-phenoxy)-2,6-difluo...)
Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)cc(Oc2cc(ccc2O)C(N)=N)c1F
Show InChI InChI=1S/C26H25F2N5O5/c1-32-9-8-31-26(32)15-4-3-5-16(10-15)37-19-12-20(23(28)24(22(19)27)33(2)13-21(35)36)38-18-11-14(25(29)30)6-7-17(18)34/h3-7,10-12,34H,8-9,13H2,1-2H3,(H3,29,30)(H,35,36)
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0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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
Coagulation factor X


(Homo sapiens (Human))
BDBM50328716
PNG
(CHEMBL1270651 | N-(4-chloro-2-(5-chloropyridin-2-y...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H24Cl2N4O2/c1-34(2)17-20-5-3-4-6-23(20)18-7-9-19(10-8-18)27(35)32-25-13-11-21(29)15-24(25)28(36)33-26-14-12-22(30)16-31-26/h3-16H,17H2,1-2H3,(H,32,35)(H,31,33,36)
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0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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
Coagulation factor X


(Homo sapiens (Human))
BDBM50249298
PNG
(BEVYXXA | CHEMBL512351 | N-(5-chloropyridin-2-yl)-...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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
Coagulation factor X


(Homo sapiens (Human))
BDBM50377640
PNG
(CHEMBL258196)
Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(cc2)-n2ccccc2=O)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H20ClN5O5S/c1-37(35,36)30-18-8-11-21(20(14-18)25(34)29-22-12-7-17(26)15-27-22)28-24(33)16-5-9-19(10-6-16)31-13-3-2-4-23(31)32/h2-15,30H,1H3,(H,28,33)(H,27,29,34)
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0.120n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243591
PNG
(6-(4-(1-((cyclopentylamino)methyl)cyclopropyl)phen...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CNC2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N4O2/c1-38-23-12-10-22(11-13-23)36-25-24(26(34-36)29(30,31)32)14-17-35(27(25)37)21-8-6-19(7-9-21)28(15-16-28)18-33-20-4-2-3-5-20/h6-13,20,33H,2-5,14-18H2,1H3
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50377631
PNG
(CHEMBL256152)
Show SMILES Clc1ccc(NC(=O)c2cc(Br)ccc2NC(=O)c2ccc(cc2)N2CCCCC2=O)nc1
Show InChI InChI=1S/C24H20BrClN4O3/c25-16-6-10-20(19(13-16)24(33)29-21-11-7-17(26)14-27-21)28-23(32)15-4-8-18(9-5-15)30-12-2-1-3-22(30)31/h4-11,13-14H,1-3,12H2,(H,28,32)(H,27,29,33)
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0.140n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50242831
PNG
(3-ethyl-1-((1-(4-(1-(4-methoxyphenyl)-7-oxo-3-(tri...)
Show SMILES CCNC(=O)N(C)CC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C28H30F3N5O3/c1-4-32-26(38)34(2)17-27(14-15-27)18-5-7-19(8-6-18)35-16-13-22-23(25(35)37)36(33-24(22)28(29,30)31)20-9-11-21(39-3)12-10-20/h5-12H,4,13-17H2,1-3H3,(H,32,38)
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50243629
PNG
(6-(4-(1-((4-hydroxypiperidin-1-yl)methyl)cycloprop...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCC(O)CC2)CC1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N4O3/c1-39-23-8-6-21(7-9-23)36-25-24(26(33-36)29(30,31)32)12-17-35(27(25)38)20-4-2-19(3-5-20)28(13-14-28)18-34-15-10-22(37)11-16-34/h2-9,22,37H,10-18H2,1H3
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50377656
PNG
(CHEMBL259534)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)nc1
Show InChI InChI=1S/C24H17ClN4O3/c25-17-10-13-21(26-15-17)28-24(32)19-5-1-2-6-20(19)27-23(31)16-8-11-18(12-9-16)29-14-4-3-7-22(29)30/h1-15H,(H,27,31)(H,26,28,32)
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0.140n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192768
PNG
(CHEMBL3900166)
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(CCC1)C(O)=O
Show InChI InChI=1S/C35H36FN5O5/c1-19-13-21-5-8-25(19)20(2)18-46-34(45)40-23-7-10-28(35(33(43)44)11-4-12-35)22(14-23)17-41(3)32(42)30(21)39-24-6-9-26-27(15-24)29(36)16-38-31(26)37/h5-10,13-16,20,30,39H,4,11-12,17-18H2,1-3H3,(H2,37,38)(H,40,45)(H,43,44)/t20-,30+/m0/s1
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0.140n/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
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50377636
PNG
(CHEMBL257399)
Show SMILES COc1cccc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C25H19ClN4O4/c1-34-20-6-4-5-19(25(33)28-21-13-10-17(26)15-27-21)23(20)29-24(32)16-8-11-18(12-9-16)30-14-3-2-7-22(30)31/h2-15H,1H3,(H,29,32)(H,27,28,33)
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0.140n/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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19008
PNG
(1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]p...)
Show SMILES CNCc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
Show InChI InChI=1S/C28H27N5O3/c1-30-17-19-5-3-4-6-23(19)18-7-9-20(10-8-18)32-16-15-24-25(27(29)34)31-33(26(24)28(32)35)21-11-13-22(36-2)14-12-21/h3-14,30H,15-17H2,1-2H3,(H2,29,34)
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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


(Homo sapiens (Human))
BDBM50087533
PNG
(3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...)
Show SMILES NC(=N)c1cccc(c1)-c1nocc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31)
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189445
PNG
(US9174974, Example 31)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1
Show InChI InChI=1S/C33H35N5O5S/c1-19-14-22-4-9-27(19)20(2)18-43-33(40)37-25-6-11-29(44(41,42)26-7-8-26)23(16-25)17-38(3)32(39)30(22)36-24-5-10-28-21(15-24)12-13-35-31(28)34/h4-6,9-16,20,26,30,36H,7-8,17-18H2,1-3H3,(H2,34,35)(H,37,40)/t20-,30+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00469
BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189445
PNG
(US9174974, Example 31)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1
Show InChI InChI=1S/C33H35N5O5S/c1-19-14-22-4-9-27(19)20(2)18-43-33(40)37-25-6-11-29(44(41,42)26-7-8-26)23(16-25)17-38(3)32(39)30(22)36-24-5-10-28-21(15-24)12-13-35-31(28)34/h4-6,9-16,20,26,30,36H,7-8,17-18H2,1-3H3,(H2,34,35)(H,37,40)/t20-,30+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human TF-factor 7a (366 to 11 residues) using factor 10 as substrate after 60 mins


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))
BDBM12864
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F
Show InChI InChI=1S/C29H24F3N7O2/c1-16-34-24-25(39(35-26(24)29(30,31)32)20-12-13-23-22(14-20)27(33)36-41-23)28(40)38(16)19-10-8-17(9-11-19)21-7-5-4-6-18(21)15-37(2)3/h4-14H,15H2,1-3H3,(H2,33,36)
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0.170n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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
Coagulation factor X


(Homo sapiens (Human))
BDBM12733
PNG
(3-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C29H26F3N5O2/c1-35(2)17-20-6-3-4-9-23(20)18-10-12-21(13-11-18)36-15-14-24-25(28(36)39)37(34-26(24)29(30,31)32)22-8-5-7-19(16-22)27(33)38/h3-13,16H,14-15,17H2,1-2H3,(H2,33,38)
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0.180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

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


(Homo sapiens (Human))
BDBM50243539
PNG
(1-(4-methoxyphenyl)-6-(4-(1-((methylamino)methyl)c...)
Show SMILES CNCC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O2/c1-29-15-24(12-13-24)16-3-5-17(6-4-16)31-14-11-20-21(23(31)33)32(30-22(20)25(26,27)28)18-7-9-19(34-2)10-8-18/h3-10,29H,11-15H2,1-2H3
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0.180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
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 Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 Company

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


(Homo sapiens (Human))
BDBM50377630
PNG
(CHEMBL404448)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)N2CCCCC2=O)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H23ClN4O3/c1-16-5-11-21(20(14-16)25(33)29-22-12-8-18(26)15-27-22)28-24(32)17-6-9-19(10-7-17)30-13-3-2-4-23(30)31/h5-12,14-15H,2-4,13H2,1H3,(H,28,32)(H,27,29,33)
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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: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
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