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PubMed code 1271404

Compile data set for download or QSAR
Found 55 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
Glandular kallikrein


(Sus scrofa)
BDBM50010135
PNG
(CHEMBL548400)
Show SMILES NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3I)C(N)=N)c2)c(I)c1
Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)4-6-19(17)29-11-13-2-1-3-14(8-13)12-30-20-7-5-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28)
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31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BPPANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50379838
PNG
(CHEMBL2011750)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3I)C(N)=N)cc2)c(I)c1
Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)5-7-19(17)29-11-13-1-2-14(4-3-13)12-30-20-8-6-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28)
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BPVANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016540
PNG
(CHEMBL3277922)
Show SMILES Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3Br)C(N)=N)cc2)c(Br)c1
Show InChI InChI=1S/C22H20Br2N4O2.ClH/c23-17-9-15(21(25)26)5-7-19(17)29-11-13-1-2-14(4-3-13)12-30-20-8-6-16(22(27)28)10-18(20)24;/h1-10H,11-12H2,(H3,25,26)(H3,27,28);1H
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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BPVANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50010136
PNG
(CHEMBL3245422)
Show SMILES NC(=N)c1ccc(OCc2cccc(c2)-c2cccc(COc3ccc(cc3Br)C(N)=N)c2)c(Br)c1
Show InChI InChI=1S/C28H24Br2N4O2/c29-23-13-21(27(31)32)7-9-25(23)35-15-17-3-1-5-19(11-17)20-6-2-4-18(12-20)16-36-26-10-8-22(28(33)34)14-24(26)30/h1-14H,15-16H2,(H3,31,32)(H3,33,34)
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270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BPVANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016544
PNG
(CHEMBL3277934)
Show SMILES Cl.NC(=N)c1ccc(OCc2cccc(c2)-c2cccc(COc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C28H26N4O2.ClH/c29-27(30)21-7-11-25(12-8-21)33-17-19-3-1-5-23(15-19)24-6-2-4-20(16-24)18-34-26-13-9-22(10-14-26)28(31)32;/h1-16H,17-18H2,(H3,29,30)(H3,31,32);1H
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570n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BPVANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50379838
PNG
(CHEMBL2011750)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3I)C(N)=N)cc2)c(I)c1
Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)5-7-19(17)29-11-13-1-2-14(4-3-13)12-30-20-8-6-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28)
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610n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BPPANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016540
PNG
(CHEMBL3277922)
Show SMILES Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3Br)C(N)=N)cc2)c(Br)c1
Show InChI InChI=1S/C22H20Br2N4O2.ClH/c23-17-9-15(21(25)26)5-7-19(17)29-11-13-1-2-14(4-3-13)12-30-20-8-6-16(22(27)28)10-18(20)24;/h1-10H,11-12H2,(H3,25,26)(H3,27,28);1H
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710n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016538
PNG
(CHEMBL3277933)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3)C(N)=N)c3ccccc3c2)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)18-5-9-22(10-6-18)31-15-17-13-20-3-1-2-4-24(20)21(14-17)16-32-23-11-7-19(8-12-23)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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1.04E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50010135
PNG
(CHEMBL548400)
Show SMILES NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3I)C(N)=N)c2)c(I)c1
Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)4-6-19(17)29-11-13-2-1-3-14(8-13)12-30-20-7-5-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28)
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016528
PNG
(CHEMBL3277925)
Show SMILES Cl.NC(=N)c1ccc(OCc2c(Cl)c(Cl)c(Cl)c(COc3ccc(cc3)C(N)=N)c2Cl)cc1
Show InChI InChI=1S/C22H18Cl4N4O2.ClH/c23-17-15(9-31-13-5-1-11(2-6-13)21(27)28)18(24)20(26)19(25)16(17)10-32-14-7-3-12(4-8-14)22(29)30;/h1-8H,9-10H2,(H3,27,28)(H3,29,30);1H
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016544
PNG
(CHEMBL3277934)
Show SMILES Cl.NC(=N)c1ccc(OCc2cccc(c2)-c2cccc(COc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C28H26N4O2.ClH/c29-27(30)21-7-11-25(12-8-21)33-17-19-3-1-5-23(15-19)24-6-2-4-20(16-24)18-34-26-13-9-22(10-14-26)28(31)32;/h1-16H,17-18H2,(H3,29,30)(H3,31,32);1H
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1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016539
PNG
(CHEMBL3277936)
Show SMILES NC(=N)c1cccc(OCc2cccc(c2)-c2cccc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C28H26N4O2.ClH/c29-27(30)23-9-3-11-25(15-23)33-17-19-5-1-7-21(13-19)22-8-2-6-20(14-22)18-34-26-12-4-10-24(16-26)28(31)32;/h1-16H,17-18H2,(H3,29,30)(H3,31,32);1H
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1.67E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016539
PNG
(CHEMBL3277936)
Show SMILES NC(=N)c1cccc(OCc2cccc(c2)-c2cccc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C28H26N4O2.ClH/c29-27(30)23-9-3-11-25(15-23)33-17-19-5-1-7-21(13-19)22-8-2-6-20(14-22)18-34-26-12-4-10-24(16-26)28(31)32;/h1-16H,17-18H2,(H3,29,30)(H3,31,32);1H
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1.76E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50010136
PNG
(CHEMBL3245422)
Show SMILES NC(=N)c1ccc(OCc2cccc(c2)-c2cccc(COc3ccc(cc3Br)C(N)=N)c2)c(Br)c1
Show InChI InChI=1S/C28H24Br2N4O2/c29-23-13-21(27(31)32)7-9-25(23)35-15-17-3-1-5-19(11-17)20-6-2-4-18(12-20)16-36-26-10-8-22(28(33)34)14-24(26)30/h1-14H,15-16H2,(H3,31,32)(H3,33,34)
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2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016530
PNG
(CHEMBL3277927)
Show SMILES NC(=N)c1cccc(COc2cccc3c(OCc4cccc(c4)C(N)=N)cccc23)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)19-7-1-5-17(13-19)15-31-23-11-3-10-22-21(23)9-4-12-24(22)32-16-18-6-2-8-20(14-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016532
PNG
(CHEMBL3277929)
Show SMILES NC(=N)c1cccc(COc2ccc3cc(OCc4cccc(c4)C(N)=N)ccc3c2)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-5-1-3-17(11-21)15-31-23-9-7-20-14-24(10-8-19(20)13-23)32-16-18-4-2-6-22(12-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016537
PNG
(CHEMBL3277932)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)c3ccccc23)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)17-7-11-21(12-8-17)31-15-19-5-6-20(24-4-2-1-3-23(19)24)16-32-22-13-9-18(10-14-22)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016536
PNG
(CHEMBL3277931)
Show SMILES NC(=N)c1ccc(COc2ccc3ccc(OCc4ccc(cc4)C(N)=N)cc3c2)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)20-5-1-17(2-6-20)15-31-23-11-9-19-10-12-24(14-22(19)13-23)32-16-18-3-7-21(8-4-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016530
PNG
(CHEMBL3277927)
Show SMILES NC(=N)c1cccc(COc2cccc3c(OCc4cccc(c4)C(N)=N)cccc23)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)19-7-1-5-17(13-19)15-31-23-11-3-10-22-21(23)9-4-12-24(22)32-16-18-6-2-8-20(14-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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2.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016526
PNG
(CHEMBL3277921)
Show SMILES Cl.NC(=N)c1cccc(OCc2cccc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-6-2-8-19(11-17)27-13-15-4-1-5-16(10-15)14-28-20-9-3-7-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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3.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016523
PNG
(CHEMBL3277918)
Show SMILES Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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3.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016527
PNG
(CHEMBL3277924)
Show SMILES Cl.NC(=N)c1ccc(OCc2c(Cl)c(Cl)c(COc3ccc(cc3)C(N)=N)c(Cl)c2Cl)cc1
Show InChI InChI=1S/C22H18Cl4N4O2.ClH/c23-17-15(9-31-13-5-1-11(2-6-13)21(27)28)18(24)20(26)16(19(17)25)10-32-14-7-3-12(4-8-14)22(29)30;/h1-8H,9-10H2,(H3,27,28)(H3,29,30);1H
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3.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016526
PNG
(CHEMBL3277921)
Show SMILES Cl.NC(=N)c1cccc(OCc2cccc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-6-2-8-19(11-17)27-13-15-4-1-5-16(10-15)14-28-20-9-3-7-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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4.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016525
PNG
(CHEMBL3277920)
Show SMILES Cl.NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-4-8-19(9-5-17)27-13-15-2-1-3-16(12-15)14-28-20-10-6-18(7-11-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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4.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016536
PNG
(CHEMBL3277931)
Show SMILES NC(=N)c1ccc(COc2ccc3ccc(OCc4ccc(cc4)C(N)=N)cc3c2)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)20-5-1-17(2-6-20)15-31-23-11-9-19-10-12-24(14-22(19)13-23)32-16-18-3-7-21(8-4-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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4.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016524
PNG
(CHEMBL3277919)
Show SMILES Cl.NC(=N)c1cccc(OCc2ccc(COc3cccc(c3)C(N)=N)cc2)c1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-3-1-5-19(11-17)27-13-15-7-9-16(10-8-15)14-28-20-6-2-4-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016529
PNG
(CHEMBL3277926)
Show SMILES NC(=N)c1ccc(COc2cccc3c(OCc4ccc(cc4)C(N)=N)cccc23)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)19-11-7-17(8-12-19)15-31-23-5-1-3-21-22(23)4-2-6-24(21)32-16-18-9-13-20(14-10-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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5.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016533
PNG
(CHEMBL3277930)
Show SMILES NC(=N)c1cccc(OCc2ccc3cc(COc4cccc(c4)C(N)=N)ccc3c2)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-3-1-5-23(13-21)31-15-17-7-9-20-12-18(8-10-19(20)11-17)16-32-24-6-2-4-22(14-24)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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5.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016538
PNG
(CHEMBL3277933)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3)C(N)=N)c3ccccc3c2)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)18-5-9-22(10-6-18)31-15-17-13-20-3-1-2-4-24(20)21(14-17)16-32-23-11-7-19(8-12-23)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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5.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016528
PNG
(CHEMBL3277925)
Show SMILES Cl.NC(=N)c1ccc(OCc2c(Cl)c(Cl)c(Cl)c(COc3ccc(cc3)C(N)=N)c2Cl)cc1
Show InChI InChI=1S/C22H18Cl4N4O2.ClH/c23-17-15(9-31-13-5-1-11(2-6-13)21(27)28)18(24)20(26)19(25)16(17)10-32-14-7-3-12(4-8-14)22(29)30;/h1-8H,9-10H2,(H3,27,28)(H3,29,30);1H
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5.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016533
PNG
(CHEMBL3277930)
Show SMILES NC(=N)c1cccc(OCc2ccc3cc(COc4cccc(c4)C(N)=N)ccc3c2)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-3-1-5-23(13-21)31-15-17-7-9-20-12-18(8-10-19(20)11-17)16-32-24-6-2-4-22(14-24)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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5.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016532
PNG
(CHEMBL3277929)
Show SMILES NC(=N)c1cccc(COc2ccc3cc(OCc4cccc(c4)C(N)=N)ccc3c2)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-5-1-3-17(11-21)15-31-23-9-7-20-14-24(10-8-19(20)13-23)32-16-18-4-2-6-22(12-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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5.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016524
PNG
(CHEMBL3277919)
Show SMILES Cl.NC(=N)c1cccc(OCc2ccc(COc3cccc(c3)C(N)=N)cc2)c1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-3-1-5-19(11-17)27-13-15-7-9-16(10-8-15)14-28-20-6-2-4-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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5.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016531
PNG
(CHEMBL3277928)
Show SMILES NC(=N)c1ccc(COc2ccc3cc(OCc4ccc(cc4)C(N)=N)ccc3c2)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)19-5-1-17(2-6-19)15-31-23-11-9-22-14-24(12-10-21(22)13-23)32-16-18-3-7-20(8-4-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016537
PNG
(CHEMBL3277932)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)c3ccccc23)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)17-7-11-21(12-8-17)31-15-19-5-6-20(24-4-2-1-3-23(19)24)16-32-22-13-9-18(10-14-22)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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6.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50016527
PNG
(CHEMBL3277924)
Show SMILES Cl.NC(=N)c1ccc(OCc2c(Cl)c(Cl)c(COc3ccc(cc3)C(N)=N)c(Cl)c2Cl)cc1
Show InChI InChI=1S/C22H18Cl4N4O2.ClH/c23-17-15(9-31-13-5-1-11(2-6-13)21(27)28)18(24)20(26)16(19(17)25)10-32-14-7-3-12(4-8-14)22(29)30;/h1-8H,9-10H2,(H3,27,28)(H3,29,30);1H
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6.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016525
PNG
(CHEMBL3277920)
Show SMILES Cl.NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-4-8-19(9-5-17)27-13-15-2-1-3-16(12-15)14-28-20-10-6-18(7-11-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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6.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016529
PNG
(CHEMBL3277926)
Show SMILES NC(=N)c1ccc(COc2cccc3c(OCc4ccc(cc4)C(N)=N)cccc23)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)19-11-7-17(8-12-19)15-31-23-5-1-3-21-22(23)4-2-6-24(21)32-16-18-9-13-20(14-10-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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8.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016531
PNG
(CHEMBL3277928)
Show SMILES NC(=N)c1ccc(COc2ccc3cc(OCc4ccc(cc4)C(N)=N)ccc3c2)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)19-5-1-17(2-6-19)15-31-23-11-9-22-14-24(12-10-21(22)13-23)32-16-18-3-7-20(8-4-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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9.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016523
PNG
(CHEMBL3277918)
Show SMILES Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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1.14E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016544
PNG
(CHEMBL3277934)
Show SMILES Cl.NC(=N)c1ccc(OCc2cccc(c2)-c2cccc(COc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C28H26N4O2.ClH/c29-27(30)21-7-11-25(12-8-21)33-17-19-3-1-5-23(15-19)24-6-2-4-20(16-24)18-34-26-13-9-22(10-14-26)28(31)32;/h1-16H,17-18H2,(H3,29,30)(H3,31,32);1H
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n/an/a 730n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50379838
PNG
(CHEMBL2011750)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3I)C(N)=N)cc2)c(I)c1
Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)5-7-19(17)29-11-13-1-2-14(4-3-13)12-30-20-8-6-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016539
PNG
(CHEMBL3277936)
Show SMILES NC(=N)c1cccc(OCc2cccc(c2)-c2cccc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C28H26N4O2.ClH/c29-27(30)23-9-3-11-25(15-23)33-17-19-5-1-7-21(13-19)22-8-2-6-20(14-22)18-34-26-12-4-10-24(16-26)28(31)32;/h1-16H,17-18H2,(H3,29,30)(H3,31,32);1H
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016526
PNG
(CHEMBL3277921)
Show SMILES Cl.NC(=N)c1cccc(OCc2cccc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-6-2-8-19(11-17)27-13-15-4-1-5-16(10-15)14-28-20-9-3-7-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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n/an/a 6.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016528
PNG
(CHEMBL3277925)
Show SMILES Cl.NC(=N)c1ccc(OCc2c(Cl)c(Cl)c(Cl)c(COc3ccc(cc3)C(N)=N)c2Cl)cc1
Show InChI InChI=1S/C22H18Cl4N4O2.ClH/c23-17-15(9-31-13-5-1-11(2-6-13)21(27)28)18(24)20(26)19(25)16(17)10-32-14-7-3-12(4-8-14)22(29)30;/h1-8H,9-10H2,(H3,27,28)(H3,29,30);1H
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010136
PNG
(CHEMBL3245422)
Show SMILES NC(=N)c1ccc(OCc2cccc(c2)-c2cccc(COc3ccc(cc3Br)C(N)=N)c2)c(Br)c1
Show InChI InChI=1S/C28H24Br2N4O2/c29-23-13-21(27(31)32)7-9-25(23)35-15-17-3-1-5-19(11-17)20-6-2-4-18(12-20)16-36-26-10-8-22(28(33)34)14-24(26)30/h1-14H,15-16H2,(H3,31,32)(H3,33,34)
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016524
PNG
(CHEMBL3277919)
Show SMILES Cl.NC(=N)c1cccc(OCc2ccc(COc3cccc(c3)C(N)=N)cc2)c1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-3-1-5-19(11-17)27-13-15-7-9-16(10-8-15)14-28-20-6-2-4-18(12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016538
PNG
(CHEMBL3277933)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3)C(N)=N)c3ccccc3c2)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)18-5-9-22(10-6-18)31-15-17-13-20-3-1-2-4-24(20)21(14-17)16-32-23-11-7-19(8-12-23)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016523
PNG
(CHEMBL3277918)
Show SMILES Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016530
PNG
(CHEMBL3277927)
Show SMILES NC(=N)c1cccc(COc2cccc3c(OCc4cccc(c4)C(N)=N)cccc23)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)19-7-1-5-17(13-19)15-31-23-11-3-10-22-21(23)9-4-12-24(22)32-16-18-6-2-8-20(14-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016536
PNG
(CHEMBL3277931)
Show SMILES NC(=N)c1ccc(COc2ccc3ccc(OCc4ccc(cc4)C(N)=N)cc3c2)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)20-5-1-17(2-6-20)15-31-23-11-9-19-10-12-24(14-22(19)13-23)32-16-18-3-7-21(8-4-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016525
PNG
(CHEMBL3277920)
Show SMILES Cl.NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-4-8-19(9-5-17)27-13-15-2-1-3-16(12-15)14-28-20-10-6-18(7-11-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016532
PNG
(CHEMBL3277929)
Show SMILES NC(=N)c1cccc(COc2ccc3cc(OCc4cccc(c4)C(N)=N)ccc3c2)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-5-1-3-17(11-21)15-31-23-9-7-20-14-24(10-8-19(20)13-23)32-16-18-4-2-6-22(12-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016533
PNG
(CHEMBL3277930)
Show SMILES NC(=N)c1cccc(OCc2ccc3cc(COc4cccc(c4)C(N)=N)ccc3c2)c1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)21-3-1-5-23(13-21)31-15-17-7-9-20-12-18(8-10-19(20)11-17)16-32-24-6-2-4-22(14-24)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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n/an/a 7.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016529
PNG
(CHEMBL3277926)
Show SMILES NC(=N)c1ccc(COc2cccc3c(OCc4ccc(cc4)C(N)=N)cccc23)cc1
Show InChI InChI=1S/C26H24N4O2.ClH/c27-25(28)19-11-7-17(8-12-19)15-31-23-5-1-3-21-22(23)4-2-6-24(21)32-16-18-9-13-20(14-10-18)26(29)30;/h1-14H,15-16H2,(H3,27,28)(H3,29,30);1H
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n/an/a 8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%