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Compile Data Set for Download or QSAR

Found 678 hits from Bristol-Myers Squibb Company   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM412734
PNG
(N-(3-fluoropyridin-4-yl)-2-(6-methylpyridin-2-yl)-...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
Show InChI InChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24)
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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 His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay


Bioorg Med Chem 26: 1026-1034 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50454871
PNG
(CHEMBL4209835)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2nc[nH]c2n1
Show InChI InChI=1S/C16H12FN7/c1-9-3-2-4-12(21-9)14-23-15-13(19-8-20-15)16(24-14)22-11-5-6-18-7-10(11)17/h2-8H,1H3,(H2,18,19,20,22,23,24)
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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 His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay


Bioorg Med Chem 26: 1026-1034 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM412755
PNG
(N-(4-((2-(6-(trifluoromethyl)pyridin-2-yl)-7H-pyrr...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1
Show InChI InChI=1S/C19H14F3N7O/c1-10(30)25-15-9-11(5-7-23-15)26-17-12-6-8-24-16(12)28-18(29-17)13-3-2-4-14(27-13)19(20,21)22/h2-9H,1H3,(H3,23,24,25,26,28,29,30)
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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 His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay


Bioorg Med Chem 26: 1026-1034 (2018)

More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM412745
PNG
(N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...)
Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)
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0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay


Bioorg Med Chem 26: 1026-1034 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM50458535
PNG
(CHEMBL4203066)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C25H34N6O4/c1-35-25(34)28-17-10-11-18-20(12-17)29-22(32)5-3-2-4-19(23-27-14-21(18)30-23)31-24(33)16-8-6-15(13-26)7-9-16/h10-12,14-16,19H,2-9,13,26H2,1H3,(H,27,30)(H,28,34)(H,29,32)(H,31,33)/t15-,16-,19-/s2
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a incubated for 60 mins by Cheng-Prusoff equation analysis


J Med Chem 61: 7425-7447 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460462
PNG
(CHEMBL4226897)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)25-17-24(29(32)37-36-25)26(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,26H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t26-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50063669
PNG
(CHEMBL3398641)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C29H24Cl2N8O3/c1-42-29(41)33-22-11-7-19(8-12-22)26-27(31)36-28(35-26)23(15-18-5-3-2-4-6-18)34-25(40)14-9-20-16-21(30)10-13-24(20)39-17-32-37-38-39/h2-14,16-17,23H,15H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b14-9+/t23-/s2
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2.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460467
PNG
(CHEMBL4228788)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](CC(=O)N2CCN(C)CC2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1
Show InChI InChI=1S/C30H30Cl2N10O4/c1-40-11-13-41(14-12-40)28(44)17-25(35-27(43)10-5-20-15-21(31)6-9-26(20)42-18-33-38-39-42)23-16-24(36-37-29(23)32)19-3-7-22(8-4-19)34-30(45)46-2/h3-10,15-16,18,25H,11-14,17H2,1-2H3,(H,34,45)(H,35,43)/b10-5+/t25-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460460
PNG
(CHEMBL4227153)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(cnn1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H25ClN8O3/c1-42-30(41)34-25-11-7-21(8-12-25)27-17-23(18-32-36-27)26(15-20-5-3-2-4-6-20)35-29(40)14-9-22-16-24(31)10-13-28(22)39-19-33-37-38-39/h2-14,16-19,26H,15H2,1H3,(H,34,41)(H,35,40)/b14-9+/t26-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460461
PNG
(CHEMBL4227477)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(C)nn1
Show InChI InChI=1S/C31H27ClN8O3/c1-20-26(18-27(37-36-20)22-8-12-25(13-9-22)34-31(42)43-2)28(16-21-6-4-3-5-7-21)35-30(41)15-10-23-17-24(32)11-14-29(23)40-19-33-38-39-40/h3-15,17-19,28H,16H2,1-2H3,(H,34,42)(H,35,41)/b15-10+/t28-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460474
PNG
(CHEMBL4225296)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](CC(=O)N2CC[C@@H](O)C2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1
Show InChI InChI=1S/C29H27Cl2N9O5/c1-45-29(44)33-20-6-2-17(3-7-20)23-13-22(28(31)36-35-23)24(14-27(43)39-11-10-21(41)15-39)34-26(42)9-4-18-12-19(30)5-8-25(18)40-16-32-37-38-40/h2-9,12-13,16,21,24,41H,10-11,14-15H2,1H3,(H,33,44)(H,34,42)/b9-4+/t21-,24+/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460459
PNG
(CHEMBL4228006)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H25ClN8O3/c1-42-30(41)34-25-11-7-21(8-12-25)23-17-27(36-32-18-23)26(15-20-5-3-2-4-6-20)35-29(40)14-9-22-16-24(31)10-13-28(22)39-19-33-37-38-39/h2-14,16-19,26H,15H2,1H3,(H,34,41)(H,35,40)/b14-9+/t26-/m0/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460472
PNG
(CHEMBL4228705)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H23Cl2FN8O3/c1-44-30(43)35-23-10-4-19(5-11-23)24-16-26(37-38-29(24)32)25(14-18-2-8-22(33)9-3-18)36-28(42)13-6-20-15-21(31)7-12-27(20)41-17-34-39-40-41/h2-13,15-17,25H,14H2,1H3,(H,35,43)(H,36,42)/b13-6+/t25-/m0/s1
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9.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460457
PNG
(CHEMBL4227743)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)24-17-26(36-37-29(24)32)25(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,25H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t25-/m0/s1
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9.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460464
PNG
(CHEMBL4227624)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1cccc(F)c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H23Cl2FN8O3/c1-44-30(43)35-23-9-5-19(6-10-23)24-16-26(37-38-29(24)32)25(14-18-3-2-4-22(33)13-18)36-28(42)12-7-20-15-21(31)8-11-27(20)41-17-34-39-40-41/h2-13,15-17,25H,14H2,1H3,(H,35,43)(H,36,42)/b12-7+/t25-/m0/s1
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460471
PNG
(CHEMBL4228269)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(n[nH]c1=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C30H25ClN8O4/c1-43-30(42)33-23-11-7-20(8-12-23)24-17-26(35-36-29(24)41)25(15-19-5-3-2-4-6-19)34-28(40)14-9-21-16-22(31)10-13-27(21)39-18-32-37-38-39/h2-14,16-18,25H,15H2,1H3,(H,33,42)(H,34,40)(H,36,41)/b14-9+/t25-/s2
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460468
PNG
(CHEMBL4226631)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1C)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C31H27ClN8O3/c1-20-26(22-8-12-25(13-9-22)34-31(42)43-2)18-28(37-36-20)27(16-21-6-4-3-5-7-21)35-30(41)15-10-23-17-24(32)11-14-29(23)40-19-33-38-39-40/h3-15,17-19,27H,16H2,1-2H3,(H,34,42)(H,35,41)/b15-10+/t27-/m0/s1
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460463
PNG
(CHEMBL4226114)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1C(O)=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C31H25ClN8O5/c1-45-31(44)34-23-11-7-20(8-12-23)24-17-26(36-37-29(24)30(42)43)25(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(32)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,25H,15H2,1H3,(H,34,44)(H,35,41)(H,42,43)/b14-9+/t25-/m0/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460465
PNG
(CHEMBL4225620)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccncc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C29H23Cl2N9O3/c1-43-29(42)34-22-6-2-19(3-7-22)23-16-25(36-37-28(23)31)24(14-18-10-12-32-13-11-18)35-27(41)9-4-20-15-21(30)5-8-26(20)40-17-33-38-39-40/h2-13,15-17,24H,14H2,1H3,(H,34,42)(H,35,41)/b9-4+/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460469
PNG
(CHEMBL4227416)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(=O)[nH]n1
Show InChI InChI=1/C30H25ClN8O4/c1-43-30(42)33-23-11-7-20(8-12-23)25-17-24(29(41)36-35-25)26(15-19-5-3-2-4-6-19)34-28(40)14-9-21-16-22(31)10-13-27(21)39-18-32-37-38-39/h2-14,16-18,26H,15H2,1H3,(H,33,42)(H,34,40)(H,36,41)/b14-9+/t26-/s2
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22n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50153004
PNG
(CHEMBL3781319)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C31H26ClN7O3/c1-42-31(41)35-26-11-7-22(8-12-26)23-15-16-33-27(19-23)28(17-21-5-3-2-4-6-21)36-30(40)14-9-24-18-25(32)10-13-29(24)39-20-34-37-38-39/h2-16,18-20,28H,17H2,1H3,(H,35,41)(H,36,40)/b14-9+/t28-/s2
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460466
PNG
(CHEMBL4228203)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](CC(=O)N1CC[C@@H](O)C1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C29H27Cl2N9O5/c1-45-29(44)33-20-6-2-17(3-7-20)22-13-24(35-36-28(22)31)23(14-27(43)39-11-10-21(41)15-39)34-26(42)9-4-18-12-19(30)5-8-25(18)40-16-32-37-38-40/h2-9,12-13,16,21,23,41H,10-11,14-15H2,1H3,(H,33,44)(H,34,42)/b9-4+/t21-,23+/m1/s1
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26n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460473
PNG
(CHEMBL4227897)
Show SMILES CNC(=O)c1nnc(cc1-c1ccc(NC(=O)OC)cc1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C32H28ClN9O4/c1-34-31(44)30-25(21-8-12-24(13-9-21)36-32(45)46-2)18-27(38-39-30)26(16-20-6-4-3-5-7-20)37-29(43)15-10-22-17-23(33)11-14-28(22)42-19-35-40-41-42/h3-15,17-19,26H,16H2,1-2H3,(H,34,44)(H,36,45)(H,37,43)/b15-10+/t26-/m0/s1
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31n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460458
PNG
(CHEMBL4225732)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1OC)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C31H27ClN8O4/c1-43-30-25(21-8-12-24(13-9-21)34-31(42)44-2)18-27(36-37-30)26(16-20-6-4-3-5-7-20)35-29(41)15-10-22-17-23(32)11-14-28(22)40-19-33-38-39-40/h3-15,17-19,26H,16H2,1-2H3,(H,34,42)(H,35,41)/b15-10+/t26-/m0/s1
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36n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50460470
PNG
(CHEMBL4227366)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](C[C@@H]1CCCN(C1)C(C)=O)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C31H31Cl2N9O4/c1-19(43)41-13-3-4-20(17-41)14-26(36-29(44)12-7-22-15-23(32)8-11-28(22)42-18-34-39-40-42)27-16-25(30(33)38-37-27)21-5-9-24(10-6-21)35-31(45)46-2/h5-12,15-16,18,20,26H,3-4,13-14,17H2,1-2H3,(H,35,45)(H,36,44)/b12-7+/t20-,26-/m0/s1
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89n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50460462
PNG
(CHEMBL4226897)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)25-17-24(29(32)37-36-25)26(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,26H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t26-/m0/s1
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192n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50460457
PNG
(CHEMBL4227743)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)24-17-26(36-37-29(24)32)25(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,25H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t25-/m0/s1
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200n/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 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50460459
PNG
(CHEMBL4228006)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H25ClN8O3/c1-42-30(41)34-25-11-7-21(8-12-25)23-17-27(36-32-18-23)26(15-20-5-3-2-4-6-20)35-29(40)14-9-22-16-24(31)10-13-28(22)39-19-33-37-38-39/h2-14,16-19,26H,15H2,1H3,(H,34,41)(H,35,40)/b14-9+/t26-/m0/s1
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268n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50460459
PNG
(CHEMBL4228006)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H25ClN8O3/c1-42-30(41)34-25-11-7-21(8-12-25)23-17-27(36-32-18-23)26(15-20-5-3-2-4-6-20)35-29(40)14-9-22-16-24(31)10-13-28(22)39-19-33-37-38-39/h2-14,16-19,26H,15H2,1H3,(H,34,41)(H,35,40)/b14-9+/t26-/m0/s1
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840n/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 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50460462
PNG
(CHEMBL4226897)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)25-17-24(29(32)37-36-25)26(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,26H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t26-/m0/s1
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994n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human TPA


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50460468
PNG
(CHEMBL4226631)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1C)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C31H27ClN8O3/c1-20-26(22-8-12-25(13-9-22)34-31(42)43-2)18-28(37-36-20)27(16-21-6-4-3-5-7-21)35-30(41)15-10-23-17-24(32)11-14-29(23)40-19-33-38-39-40/h3-15,17-19,27H,16H2,1-2H3,(H,34,42)(H,35,41)/b15-10+/t27-/m0/s1
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1.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50460462
PNG
(CHEMBL4226897)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)25-17-24(29(32)37-36-25)26(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,26H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t26-/m0/s1
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1.94E+3n/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 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50460468
PNG
(CHEMBL4226631)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1C)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C31H27ClN8O3/c1-20-26(22-8-12-25(13-9-22)34-31(42)43-2)18-28(37-36-20)27(16-21-6-4-3-5-7-21)35-30(41)15-10-23-17-24(32)11-14-29(23)40-19-33-38-39-40/h3-15,17-19,27H,16H2,1-2H3,(H,34,42)(H,35,41)/b15-10+/t27-/m0/s1
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>3.00E+3n/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 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50460462
PNG
(CHEMBL4226897)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)25-17-24(29(32)37-36-25)26(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,26H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t26-/m0/s1
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3.28E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50460462
PNG
(CHEMBL4226897)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)25-17-24(29(32)37-36-25)26(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,26H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t26-/m0/s1
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3.73E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human trypsin


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50460462
PNG
(CHEMBL4226897)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)25-17-24(29(32)37-36-25)26(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,26H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t26-/m0/s1
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4.49E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50460457
PNG
(CHEMBL4227743)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)24-17-26(36-37-29(24)32)25(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,25H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t25-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50460459
PNG
(CHEMBL4228006)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H25ClN8O3/c1-42-30(41)34-25-11-7-21(8-12-25)23-17-27(36-32-18-23)26(15-20-5-3-2-4-6-20)35-29(40)14-9-22-16-24(31)10-13-28(22)39-19-33-37-38-39/h2-14,16-19,26H,15H2,1H3,(H,34,41)(H,35,40)/b14-9+/t26-/m0/s1
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>6.22E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human trypsin


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50460468
PNG
(CHEMBL4226631)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1C)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C31H27ClN8O3/c1-20-26(22-8-12-25(13-9-22)34-31(42)43-2)18-28(37-36-20)27(16-21-6-4-3-5-7-21)35-30(41)15-10-23-17-24(32)11-14-29(23)40-19-33-38-39-40/h3-15,17-19,27H,16H2,1-2H3,(H,34,42)(H,35,41)/b15-10+/t27-/m0/s1
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>6.22E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human trypsin


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50460457
PNG
(CHEMBL4227743)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)24-17-26(36-37-29(24)32)25(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,25H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t25-/m0/s1
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>6.22E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human trypsin


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50460457
PNG
(CHEMBL4227743)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)24-17-26(36-37-29(24)32)25(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,25H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t25-/m0/s1
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1.01E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human TPA


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50460462
PNG
(CHEMBL4226897)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)25-17-24(29(32)37-36-25)26(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,26H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t26-/m0/s1
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1.06E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50460459
PNG
(CHEMBL4228006)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H25ClN8O3/c1-42-30(41)34-25-11-7-21(8-12-25)23-17-27(36-32-18-23)26(15-20-5-3-2-4-6-20)35-29(40)14-9-22-16-24(31)10-13-28(22)39-19-33-37-38-39/h2-14,16-19,26H,15H2,1H3,(H,34,41)(H,35,40)/b14-9+/t26-/m0/s1
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>1.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50460459
PNG
(CHEMBL4228006)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H25ClN8O3/c1-42-30(41)34-25-11-7-21(8-12-25)23-17-27(36-32-18-23)26(15-20-5-3-2-4-6-20)35-29(40)14-9-22-16-24(31)10-13-28(22)39-19-33-37-38-39/h2-14,16-19,26H,15H2,1H3,(H,34,41)(H,35,40)/b14-9+/t26-/m0/s1
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>1.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50460468
PNG
(CHEMBL4226631)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1C)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C31H27ClN8O3/c1-20-26(22-8-12-25(13-9-22)34-31(42)43-2)18-28(37-36-20)27(16-21-6-4-3-5-7-21)35-30(41)15-10-23-17-24(32)11-14-29(23)40-19-33-38-39-40/h3-15,17-19,27H,16H2,1-2H3,(H,34,42)(H,35,41)/b15-10+/t27-/m0/s1
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>1.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50460468
PNG
(CHEMBL4226631)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1C)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C31H27ClN8O3/c1-20-26(22-8-12-25(13-9-22)34-31(42)43-2)18-28(37-36-20)27(16-21-6-4-3-5-7-21)35-30(41)15-10-23-17-24(32)11-14-29(23)40-19-33-38-39-40/h3-15,17-19,27H,16H2,1-2H3,(H,34,42)(H,35,41)/b15-10+/t27-/m0/s1
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>1.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50460457
PNG
(CHEMBL4227743)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)24-17-26(36-37-29(24)32)25(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,25H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t25-/m0/s1
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>1.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50460457
PNG
(CHEMBL4227743)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)24-17-26(36-37-29(24)32)25(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,25H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t25-/m0/s1
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>1.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50460462
PNG
(CHEMBL4226897)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1
Show InChI InChI=1S/C30H24Cl2N8O3/c1-43-30(42)34-23-11-7-20(8-12-23)25-17-24(29(32)37-36-25)26(15-19-5-3-2-4-6-19)35-28(41)14-9-21-16-22(31)10-13-27(21)40-18-33-38-39-40/h2-14,16-18,26H,15H2,1H3,(H,34,42)(H,35,41)/b14-9+/t26-/m0/s1
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1.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human urokinase


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50460459
PNG
(CHEMBL4228006)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H25ClN8O3/c1-42-30(41)34-25-11-7-21(8-12-25)23-17-27(36-32-18-23)26(15-20-5-3-2-4-6-20)35-29(40)14-9-22-16-24(31)10-13-28(22)39-19-33-37-38-39/h2-14,16-19,26H,15H2,1H3,(H,34,41)(H,35,40)/b14-9+/t26-/m0/s1
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>1.47E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human TPA


Bioorg Med Chem Lett 28: 987-992 (2018)

More data for this
Ligand-Target Pair
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