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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 2140   
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))
BDBM17298
PNG
(4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)
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15 -46.5n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM17298
PNG
(4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)
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20 -45.7n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17297
PNG
(4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)
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40 -43.9n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM17295
PNG
(BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-
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57 -43.0n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine protease 1


(Bos taurus (bovine))
BDBM17297
PNG
(4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)
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67 -42.6n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine protease 1


(Bos taurus (bovine))
BDBM17298
PNG
(4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)
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102 -41.5n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM17295
PNG
(BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-
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110 -41.3n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prothrombin


(Homo sapiens (Human))
BDBM17295
PNG
(BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-
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140 -40.7n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prothrombin


(Homo sapiens (Human))
BDBM17297
PNG
(4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)
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780 -36.3n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM17297
PNG
(4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)
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4.10E+3 -32.0n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM17298
PNG
(4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)
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Article
PubMed
6.50E+3 -30.8n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM17295
PNG
(BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-
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6.80E+3 -30.7n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM17298
PNG
(4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)
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PubMed
8.20E+3 -30.2n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM17295
PNG
(BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-
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9.00E+3 -30.0n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM17297
PNG
(4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)
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9.20E+3 -29.9n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM17298
PNG
(4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)
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PubMed
1.30E+4 -29.0n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM17297
PNG
(4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)
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PubMed
1.60E+4 -28.5n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM17298
PNG
(4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)
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>3.00E+4>-26.9n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM17297
PNG
(4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)
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>4.00E+4>-26.1n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM17295
PNG
(BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-
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>4.00E+4>-26.1n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM17298
PNG
(4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)
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>4.00E+4>-26.1n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM17295
PNG
(BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-
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4.40E+4 -25.9n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM17295
PNG
(BIBT0871 | ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-
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>5.00E+4>-25.5n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM17297
PNG
(4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)
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PubMed
>5.00E+4>-25.5n/an/an/an/an/a8.037



Boehringer Ingelheim Pharma KG



Assay Description
For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...


Structure 9: 29-37 (2001)


Article DOI: 10.1016/s0969-2126(00)00551-7
BindingDB Entry DOI: 10.7270/Q2028PTC
More data for this
Ligand-Target Pair