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Compile Data Set for Download or QSAR

Found 177 hits with Last Name = 'cezanne' and Initial = 'b'   
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))
BDBM50149080
PNG
(2-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...)
Show SMILES Brc1ccc(s1)-c1nc2ccc(CC(=O)NCC3CCN(CC3)c3ccncc3)cc2[nH]1
Show InChI InChI=1S/C24H24BrN5OS/c25-22-4-3-21(32-22)24-28-19-2-1-17(13-20(19)29-24)14-23(31)27-15-16-7-11-30(12-8-16)18-5-9-26-10-6-18/h1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,27,31)(H,28,29)
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n/an/a 5.20n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50134404
PNG
((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...)
Show SMILES CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C22H25ClN4O4/c1-2-3-19(26-22(30)25-17-6-4-15(23)5-7-17)21(29)24-16-8-10-18(11-9-16)27-12-13-31-14-20(27)28/h4-11,19H,2-3,12-14H2,1H3,(H,24,29)(H2,25,26,30)/t19-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149093
PNG
(3-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Fc1cc(ccc1NC(=O)CCc1ccc2nc([nH]c2c1)-c1ccc(Cl)s1)N1CCOCC1=O
Show InChI InChI=1S/C24H20ClFN4O3S/c25-21-7-6-20(34-21)24-28-18-4-1-14(11-19(18)29-24)2-8-22(31)27-17-5-3-15(12-16(17)26)30-9-10-33-13-23(30)32/h1,3-7,11-12H,2,8-10,13H2,(H,27,31)(H,28,29)
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n/an/a 5.90n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149098
PNG
(CHEMBL125552 | N-[3-Chloro-4-(3-oxo-morpholin-4-yl...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CCC(=O)Nc3ccc(N4CCOCC4=O)c(Cl)c3)cc2[nH]1
Show InChI InChI=1S/C24H20Cl2N4O3S/c25-16-12-15(3-5-19(16)30-9-10-33-13-23(30)32)27-22(31)8-2-14-1-4-17-18(11-14)29-24(28-17)20-6-7-21(26)34-20/h1,3-7,11-12H,2,8-10,13H2,(H,27,31)(H,28,29)
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n/an/a 7n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149088
PNG
(3-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Fc1cc(NC(=O)CCc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1-n1ccccc1=O
Show InChI InChI=1S/C25H18ClFN4O2S/c26-22-10-9-21(34-22)25-29-18-7-4-15(13-19(18)30-25)5-11-23(32)28-16-6-8-20(17(27)14-16)31-12-2-1-3-24(31)33/h1-4,6-10,12-14H,5,11H2,(H,28,32)(H,29,30)
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n/an/a 7.60n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149087
PNG
(3-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Cc1cc(NC(=O)CCc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1N1CCOCC1=O
Show InChI InChI=1S/C25H23ClN4O3S/c1-15-12-17(4-6-20(15)30-10-11-33-14-24(30)32)27-23(31)9-3-16-2-5-18-19(13-16)29-25(28-18)21-7-8-22(26)34-21/h2,4-8,12-13H,3,9-11,14H2,1H3,(H,27,31)(H,28,29)
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n/an/a 8.20n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149089
PNG
(3-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...)
Show SMILES Cc1cc(NC(=O)CCc2ccc3nc([nH]c3c2)-c2ccc(Br)s2)ccc1N1CCOCC1=O
Show InChI InChI=1S/C25H23BrN4O3S/c1-15-12-17(4-6-20(15)30-10-11-33-14-24(30)32)27-23(31)9-3-16-2-5-18-19(13-16)29-25(28-18)21-7-8-22(26)34-21/h2,4-8,12-13H,3,9-11,14H2,1H3,(H,27,31)(H,28,29)
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n/an/a 8.40n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149100
PNG
(3-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CCC(=O)Nc3ccc(cc3)N3CCOCC3=O)cc2[nH]1
Show InChI InChI=1S/C24H21ClN4O3S/c25-21-9-8-20(33-21)24-27-18-7-1-15(13-19(18)28-24)2-10-22(30)26-16-3-5-17(6-4-16)29-11-12-32-14-23(29)31/h1,3-9,13H,2,10-12,14H2,(H,26,30)(H,27,28)
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n/an/a 10n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149084
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)NCC3CCN(CC3)c3ccncc3)cc2[nH]1
Show InChI InChI=1S/C24H24ClN5OS/c25-22-4-3-21(32-22)24-28-19-2-1-17(13-20(19)29-24)14-23(31)27-15-16-7-11-30(12-8-16)18-5-9-26-10-6-18/h1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,27,31)(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149091
PNG
((S)-2-(3-Carbamimidoyl-phenylamino)-N-[4-(2-oxo-pi...)
Show SMILES NC(=N)c1cccc(N[C@H](C(=O)Nc2ccc(cc2)N2CCCCC2=O)c2ccccc2)c1
Show InChI InChI=1S/C26H27N5O2/c27-25(28)19-9-6-10-21(17-19)29-24(18-7-2-1-3-8-18)26(33)30-20-12-14-22(15-13-20)31-16-5-4-11-23(31)32/h1-3,6-10,12-15,17,24,29H,4-5,11,16H2,(H3,27,28)(H,30,33)/t24-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149094
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Cc1cc(NC(=O)COc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1N1CCOCC1=O
Show InChI InChI=1S/C24H21ClN4O4S/c1-14-10-15(2-5-19(14)29-8-9-32-13-23(29)31)26-22(30)12-33-16-3-4-17-18(11-16)28-24(27-17)20-6-7-21(25)34-20/h2-7,10-11H,8-9,12-13H2,1H3,(H,26,30)(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149090
PNG
(2-[3-(4-Chloro-phenyl)-ureido]-N-[4-(3-oxo-morphol...)
Show SMILES Clc1ccc(NC(=O)NCC(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C19H19ClN4O4/c20-13-1-3-15(4-2-13)23-19(27)21-11-17(25)22-14-5-7-16(8-6-14)24-9-10-28-12-18(24)26/h1-8H,9-12H2,(H,22,25)(H2,21,23,27)
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n/an/a 32n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234032
PNG
(CHEMBL4060668)
Show SMILES C(Oc1cncc2ccccc12)[C@H]1CCCN1c1ccnc2ncnn12 |r|
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n/an/a 38n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149076
PNG
(2-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...)
Show SMILES Cc1cc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Br)s2)ccc1N1CCOCC1=O
Show InChI InChI=1S/C24H21BrN4O3S/c1-14-10-16(3-5-19(14)29-8-9-32-13-23(29)31)26-22(30)12-15-2-4-17-18(11-15)28-24(27-17)20-6-7-21(25)33-20/h2-7,10-11H,8-9,12-13H2,1H3,(H,26,30)(H,27,28)
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n/an/a 41n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149101
PNG
(3-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...)
Show SMILES Brc1ccc(s1)-c1nc2ccc(CCC(=O)NCC3CCN(CC3)c3ccncc3)cc2[nH]1
Show InChI InChI=1S/C25H26BrN5OS/c26-23-5-4-22(33-23)25-29-20-3-1-17(15-21(20)30-25)2-6-24(32)28-16-18-9-13-31(14-10-18)19-7-11-27-12-8-19/h1,3-5,7-8,11-12,15,18H,2,6,9-10,13-14,16H2,(H,28,32)(H,29,30)
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n/an/a 58n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149085
PNG
(2-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...)
Show SMILES Brc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)-n3ccccc3=O)cc2[nH]1
Show InChI InChI=1S/C24H17BrN4O2S/c25-21-11-10-20(32-21)24-27-18-9-4-15(13-19(18)28-24)14-22(30)26-16-5-7-17(8-6-16)29-12-2-1-3-23(29)31/h1-13H,14H2,(H,26,30)(H,27,28)
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n/an/a 63n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234031
PNG
(CHEMBL4082542)
Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ccnc2ncnn12 |r|
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n/an/a 110n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149083
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Cc1cc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1N1CCOCC1=O
Show InChI InChI=1S/C24H21ClN4O3S/c1-14-10-16(3-5-19(14)29-8-9-32-13-23(29)31)26-22(30)12-15-2-4-17-18(11-15)28-24(27-17)20-6-7-21(25)33-20/h2-7,10-11H,8-9,12-13H2,1H3,(H,26,30)(H,27,28)
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n/an/a 120n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149079
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(OCC(=O)Nc3ccc(cc3)N3CCOCC3=O)cc2[nH]1
Show InChI InChI=1S/C23H19ClN4O4S/c24-20-8-7-19(33-20)23-26-17-6-5-16(11-18(17)27-23)32-12-21(29)25-14-1-3-15(4-2-14)28-9-10-31-13-22(28)30/h1-8,11H,9-10,12-13H2,(H,25,29)(H,26,27)
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n/an/a 150n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149075
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)NCc3ccc(cc3)N3CCOCC3=O)cc2[nH]1
Show InChI InChI=1S/C24H21ClN4O3S/c25-21-8-7-20(33-21)24-27-18-6-3-16(11-19(18)28-24)12-22(30)26-13-15-1-4-17(5-2-15)29-9-10-32-14-23(29)31/h1-8,11H,9-10,12-14H2,(H,26,30)(H,27,28)
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n/an/a 170n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149092
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Cc1cc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1-n1ccccc1=O
Show InChI InChI=1S/C25H19ClN4O2S/c1-15-12-17(6-8-20(15)30-11-3-2-4-24(30)32)27-23(31)14-16-5-7-18-19(13-16)29-25(28-18)21-9-10-22(26)33-21/h2-13H,14H2,1H3,(H,27,31)(H,28,29)
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n/an/a 180n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234025
PNG
(CHEMBL4093791)
Show SMILES C(Oc1cccc2cnccc12)[C@H]1CCCN1c1ncnc2[nH]cnc12 |r|
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n/an/a 230n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149086
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)N3CCOCC3=O)cc2[nH]1
Show InChI InChI=1S/C23H19ClN4O3S/c24-20-8-7-19(32-20)23-26-17-6-1-14(11-18(17)27-23)12-21(29)25-15-2-4-16(5-3-15)28-9-10-31-13-22(28)30/h1-8,11H,9-10,12-13H2,(H,25,29)(H,26,27)
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n/an/a 230n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149096
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)N3CCCCC3=O)cc2[nH]1
Show InChI InChI=1S/C24H21ClN4O2S/c25-21-11-10-20(32-21)24-27-18-9-4-15(13-19(18)28-24)14-22(30)26-16-5-7-17(8-6-16)29-12-2-1-3-23(29)31/h4-11,13H,1-3,12,14H2,(H,26,30)(H,27,28)
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n/an/a 260n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149082
PNG
(CHEMBL125477 | N-[2-(5-Chloro-thiophen-2-yl)-1H-be...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CNC(=O)c3ccc(cc3)N3CCOCC3=O)cc2[nH]1
Show InChI InChI=1S/C23H19ClN4O3S/c24-20-8-7-19(32-20)22-26-17-6-1-14(11-18(17)27-22)12-25-23(30)15-2-4-16(5-3-15)28-9-10-31-13-21(28)29/h1-8,11H,9-10,12-13H2,(H,25,30)(H,26,27)
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n/an/a 440n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234035
PNG
(CHEMBL4070008)
Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ncnc2[nH]cnc12 |r|
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n/an/a 450n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149099
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C26H20ClN3O3S2/c1-35(32,33)23-5-3-2-4-19(23)17-7-9-18(10-8-17)28-25(31)15-16-6-11-20-21(14-16)30-26(29-20)22-12-13-24(27)34-22/h2-14H,15H2,1H3,(H,28,31)(H,29,30)
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n/an/a 490n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149078
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)N3CCCC3=O)cc2[nH]1
Show InChI InChI=1S/C23H19ClN4O2S/c24-20-10-9-19(31-20)23-26-17-8-3-14(12-18(17)27-23)13-21(29)25-15-4-6-16(7-5-15)28-11-1-2-22(28)30/h3-10,12H,1-2,11,13H2,(H,25,29)(H,26,27)
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n/an/a 530n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234037
PNG
(CHEMBL4083510)
Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ccnc2nccn12 |r|
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n/an/a 560n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234024
PNG
(CHEMBL4097198)
Show SMILES Cc1ccccc1OC[C@H]1CCCN1c1ncnc2[nH]cnc12 |r|
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n/an/a 700n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149077
PNG
(6-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...)
Show SMILES CC1CC(=NNC1=O)c1ccc2nc([nH]c2c1)-c1ccc(Br)s1 |c:3|
Show InChI InChI=1S/C16H13BrN4OS/c1-8-6-11(20-21-16(8)22)9-2-3-10-12(7-9)19-15(18-10)13-4-5-14(17)23-13/h2-5,7-8H,6H2,1H3,(H,18,19)(H,21,22)
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n/an/a 980n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234033
PNG
(CHEMBL4078213)
Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ncnc2[nH]cnc12 |r|
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149081
PNG
(6-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES CC1CC(=O)NN=C1c1ccc2nc([nH]c2c1)-c1ccc(Cl)s1 |c:6|
Show InChI InChI=1S/C16H13ClN4OS/c1-8-6-14(22)20-21-15(8)9-2-3-10-11(7-9)19-16(18-10)12-4-5-13(17)23-12/h2-5,7-8H,6H2,1H3,(H,18,19)(H,20,22)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149095
PNG
(CHEMBL124657 | N-[2-(5-Chloro-thiophen-2-yl)-1H-be...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(NC(=O)Cc3ccc(cc3)N3CCOCC3=O)cc2[nH]1
Show InChI InChI=1S/C23H19ClN4O3S/c24-20-8-7-19(32-20)23-26-17-6-3-15(12-18(17)27-23)25-21(29)11-14-1-4-16(5-2-14)28-9-10-31-13-22(28)30/h1-8,12H,9-11,13H2,(H,25,29)(H,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234022
PNG
(CHEMBL4066295)
Show SMILES N#Cc1ccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)cc1 |r|
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234020
PNG
(CHEMBL4101592)
Show SMILES Fc1cccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)c1F |r|
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234030
PNG
(CHEMBL4101510)
Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ncnc2ncnn12 |r|
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149097
PNG
(2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazole-5-car...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C22H17ClN4O3S/c23-19-8-7-18(31-19)21-25-16-6-1-13(11-17(16)26-21)22(29)24-14-2-4-15(5-3-14)27-9-10-30-12-20(27)28/h1-8,11H,9-10,12H2,(H,24,29)(H,25,26)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234021
PNG
(CHEMBL4074903)
Show SMILES Fc1cccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)c1 |r|
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234027
PNG
(CHEMBL4086033)
Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ccnc2[nH]cnc12 |r|
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234028
PNG
(CHEMBL4063448)
Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ccnc2nsnc12 |r|
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234034
PNG
(CHEMBL4093860)
Show SMILES Fc1ccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)cc1 |r|
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50155629
PNG
(5-Chloro-thiophene-2-carboxylic acid {(R)-2-methox...)
Show SMILES COC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1
Show InChI InChI=1S/C20H22ClN3O5S/c1-12-9-13(3-4-15(12)24-7-8-29-11-18(24)25)22-19(26)14(10-28-2)23-20(27)16-5-6-17(21)30-16/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,22,26)(H,23,27)/t14-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human serine protease factor Xa


Bioorg Med Chem Lett 14: 5817-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.043
BindingDB Entry DOI: 10.7270/Q2FX78ZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50134404
PNG
((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...)
Show SMILES CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C22H25ClN4O4/c1-2-3-19(26-22(30)25-17-6-4-15(23)5-7-17)21(29)24-16-8-10-18(11-9-16)27-12-13-31-14-20(27)28/h4-11,19H,2-3,12-14H2,1H3,(H,24,29)(H2,25,26,30)/t19-/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human serine protease factor Xa


Bioorg Med Chem Lett 14: 5817-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.043
BindingDB Entry DOI: 10.7270/Q2FX78ZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149093
PNG
(3-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Fc1cc(ccc1NC(=O)CCc1ccc2nc([nH]c2c1)-c1ccc(Cl)s1)N1CCOCC1=O
Show InChI InChI=1S/C24H20ClFN4O3S/c25-21-7-6-20(34-21)24-28-18-4-1-14(11-19(18)29-24)2-8-22(31)27-17-5-3-15(12-16(17)26)30-9-10-33-13-23(30)32/h1,3-7,11-12H,2,8-10,13H2,(H,27,31)(H,28,29)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human serine protease factor Xa


Bioorg Med Chem Lett 14: 5817-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.043
BindingDB Entry DOI: 10.7270/Q2FX78ZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50155615
PNG
(5-Chloro-thiophene-2-carboxylic acid {(R)-3-methyl...)
Show SMILES CC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1
Show InChI InChI=1S/C22H26ClN3O4S/c1-13(2)10-16(25-22(29)18-6-7-19(23)31-18)21(28)24-15-4-5-17(14(3)11-15)26-8-9-30-12-20(26)27/h4-7,11,13,16H,8-10,12H2,1-3H3,(H,24,28)(H,25,29)/t16-/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human serine protease factor Xa


Bioorg Med Chem Lett 14: 5817-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.043
BindingDB Entry DOI: 10.7270/Q2FX78ZG
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234036
PNG
(CHEMBL4064507)
Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ncnc2[nH]ncc12 |r|
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n/an/a 8.60E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50155621
PNG
(5-Chloro-thiophene-2-carboxylic acid {(R)-1-[3-met...)
Show SMILES CCC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1
Show InChI InChI=1S/C21H24ClN3O4S/c1-3-4-15(24-21(28)17-7-8-18(22)30-17)20(27)23-14-5-6-16(13(2)11-14)25-9-10-29-12-19(25)26/h5-8,11,15H,3-4,9-10,12H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human serine protease factor Xa


Bioorg Med Chem Lett 14: 5817-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.043
BindingDB Entry DOI: 10.7270/Q2FX78ZG
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50149078
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)N3CCCC3=O)cc2[nH]1
Show InChI InChI=1S/C23H19ClN4O2S/c24-20-10-9-19(31-20)23-26-17-8-3-14(12-18(17)27-23)13-21(29)25-15-4-6-16(7-5-15)28-11-1-2-22(28)30/h3-10,12H,1-2,11,13H2,(H,25,29)(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50149096
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)N3CCCCC3=O)cc2[nH]1
Show InChI InChI=1S/C24H21ClN4O2S/c25-21-11-10-20(32-21)24-27-18-9-4-15(13-19(18)28-24)14-22(30)26-16-5-7-17(8-6-16)29-12-2-1-3-23(29)31/h4-11,13H,1-3,12,14H2,(H,26,30)(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
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