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Compile Data Set for Download or QSAR

Found 523 hits with Last Name = 'hengeveld' and Initial = 'wj'   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50257775
PNG
(CHEMBL4100462)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)-c1cccnc1
Show InChI InChI=1S/C24H20FN5S/c1-3-20-23(29(2)24-28-21(15-31-24)16-6-9-19(25)10-7-16)30-14-18(8-11-22(30)27-20)17-5-4-12-26-13-17/h4-15H,3H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.

Curated by ChEMBL


Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay


J Med Chem 60: 7371-7392 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50257807
PNG
(CHEMBL4073638)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1
Show InChI InChI=1S/C28H31ClN6O3S/c1-4-22-26(33(3)27-32-23(17-39-27)18-6-9-20(29)10-7-18)35-16-19(8-11-24(35)31-22)25(36)30-21-12-14-34(15-13-21)28(37)38-5-2/h6-11,16-17,21H,4-5,12-15H2,1-3H3,(H,30,36)
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n/an/a 5n/an/an/an/an/an/a



Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.

Curated by ChEMBL


Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay


J Med Chem 60: 7371-7392 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298092
PNG
(3-[3-(2-tert-butoxyethyl)-1,2,4-oxadiazol-5-yl]-2-...)
Show SMILES Cc1nn2c(cc(=O)[nH]c2c1-c1nc(CCOC(C)(C)C)no1)C1CCNCC1
Show InChI InChI=1S/C20H28N6O3/c1-12-17(19-22-15(25-29-19)7-10-28-20(2,3)4)18-23-16(27)11-14(26(18)24-12)13-5-8-21-9-6-13/h11,13,21H,5-10H2,1-4H3,(H,23,27)
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n/an/a 6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298254
PNG
(3-(2-methylbutanoyl)-7-(piperidin-4-yl)pyrazolo[1,...)
Show SMILES CCC(C)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
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n/an/a 8n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298255
PNG
(3-(cyclopropylcarbonyl)-7-(piperidin-4-yl)pyrazolo...)
Show SMILES O=C(C1CC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C15H18N4O2/c20-13-7-12(9-3-5-16-6-4-9)19-15(18-13)11(8-17-19)14(21)10-1-2-10/h7-10,16H,1-6H2,(H,18,20)
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n/an/a 8n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50257776
PNG
(CHEMBL4084005)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCOCC1
Show InChI InChI=1S/C23H24FN5OS/c1-3-19-22(27(2)23-26-20(15-31-23)16-4-6-17(24)7-5-16)29-14-18(8-9-21(29)25-19)28-10-12-30-13-11-28/h4-9,14-15H,3,10-13H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.

Curated by ChEMBL


Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay


J Med Chem 60: 7371-7392 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298041
PNG
(3-(2-methyl-1,3-thiazol-5-yl)-7-(piperidin-4-yl)py...)
Show SMILES Cc1ncc(s1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C15H17N5OS/c1-9-17-8-13(22-9)11-7-18-20-12(6-14(21)19-15(11)20)10-2-4-16-5-3-10/h6-8,10,16H,2-5H2,1H3,(H,19,21)
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n/an/a 8.20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297950
PNG
(7-(piperidin-4-yl)-3-{5-[4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-1-12(2-4-13)18-27-28-19(31-18)14-10-25-29-15(9-16(30)26-17(14)29)11-5-7-24-8-6-11/h1-4,9-11,24H,5-8H2,(H,26,30)
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n/an/a 8.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298115
PNG
(7-(piperidin-4-yl)-3-(piperidin-1-ylcarbonyl)pyraz...)
Show SMILES O=C(N1CCCCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C17H23N5O2/c23-15-10-14(12-4-6-18-7-5-12)22-16(20-15)13(11-19-22)17(24)21-8-2-1-3-9-21/h10-12,18H,1-9H2,(H,20,23)
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n/an/a 9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298123
PNG
(3-(4-cyclohexyl-1,3-thiazol-2-yl)-7-(piperidin-4-y...)
Show SMILES O=c1cc(C2CCNCC2)n2ncc(-c3nc(cs3)C3CCCCC3)c2[nH]1
Show InChI InChI=1S/C20H25N5OS/c26-18-10-17(14-6-8-21-9-7-14)25-19(24-18)15(11-22-25)20-23-16(12-27-20)13-4-2-1-3-5-13/h10-14,21H,1-9H2,(H,24,26)
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n/an/a 9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50257813
PNG
(CHEMBL4062291)
Show SMILES CCOC(=O)N1CCC(CC1)NCc1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1
Show InChI InChI=1S/C28H33ClN6O2S/c1-4-23-26(33(3)27-32-24(18-38-27)20-7-9-21(29)10-8-20)35-17-19(6-11-25(35)31-23)16-30-22-12-14-34(15-13-22)28(36)37-5-2/h6-11,17-18,22,30H,4-5,12-16H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.

Curated by ChEMBL


Assay Description
Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluore...


J Med Chem 60: 7371-7392 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298009
PNG
(3-[3-(4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-7-(pip...)
Show SMILES Fc1ccc(Cc2noc(n2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1
Show InChI InChI=1S/C20H19FN6O2/c21-14-3-1-12(2-4-14)9-17-24-20(29-26-17)15-11-23-27-16(10-18(28)25-19(15)27)13-5-7-22-8-6-13/h1-4,10-11,13,22H,5-9H2,(H,25,28)
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n/an/a 9.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298073
PNG
(3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-7-(pipe...)
Show SMILES O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CCc4ccccc4)o3)c2[nH]1
Show InChI InChI=1S/C21H22N6O2/c28-18-12-17(15-8-10-22-11-9-15)27-20(24-18)16(13-23-27)21-26-25-19(29-21)7-6-14-4-2-1-3-5-14/h1-5,12-13,15,22H,6-11H2,(H,24,28)
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298184
PNG
(Rel-3-{5-[(1R,2S)-2-methylcyclopentyl]-1,2,4-oxadi...)
Show SMILES CC1CCCC1c1nc(no1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298237
PNG
(3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-met...)
Show SMILES COc1ccccc1-c1noc(n1)-c1c(C)nn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C21H22N6O3/c1-12-18(21-24-19(26-30-21)14-5-3-4-6-16(14)29-2)20-23-17(28)11-15(27(20)25-12)13-7-9-22-10-8-13/h3-6,11,13,22H,7-10H2,1-2H3,(H,23,28)
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298246
PNG
(3-[3-(4-hydroxybenzyl)-1,2,4-oxadiazol-5-yl]-2-met...)
Show SMILES Cc1nn2c(cc(=O)[nH]c2c1-c1nc(Cc2ccc(O)cc2)no1)C1CCNCC1
Show InChI InChI=1S/C21H22N6O3/c1-12-19(21-23-17(26-30-21)10-13-2-4-15(28)5-3-13)20-24-18(29)11-16(27(20)25-12)14-6-8-22-9-7-14/h2-5,11,14,22,28H,6-10H2,1H3,(H,24,29)
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297845
PNG
(5-[5-Oxo-7-(piperidin-4-yl)-4,5-dihydropyrazolo[1,...)
Show SMILES O=c1cc(C2CCNCC2)n2ncc(-c3cc(cs3)C#N)c2[nH]1
Show InChI InChI=1S/C16H15N5OS/c17-7-10-5-14(23-9-10)12-8-19-21-13(6-15(22)20-16(12)21)11-1-3-18-4-2-11/h5-6,8-9,11,18H,1-4H2,(H,20,22)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298063
PNG
(3-[5-(3-chlorobenzyl)-1,3,4-oxadiazol-2-yl]-7-(pip...)
Show SMILES Clc1cccc(Cc2nnc(o2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c1
Show InChI InChI=1S/C20H19ClN6O2/c21-14-3-1-2-12(8-14)9-18-25-26-20(29-18)15-11-23-27-16(10-17(28)24-19(15)27)13-4-6-22-7-5-13/h1-3,8,10-11,13,22H,4-7,9H2,(H,24,28)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298096
PNG
(2-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)-c1ccc(C)cc1)C1CCNCC1
Show InChI InChI=1S/C21H22N6O2/c1-12-3-5-15(6-4-12)19-24-21(29-26-19)18-13(2)25-27-16(11-17(28)23-20(18)27)14-7-9-22-10-8-14/h3-6,11,14,22H,7-10H2,1-2H3,(H,23,28)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298098
PNG
(3-(4-ethyl-1,3-thiazol-2-yl)-7-(piperidin-4-yl)pyr...)
Show SMILES CCc1csc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C16H19N5OS/c1-2-11-9-23-16(19-11)12-8-18-21-13(7-14(22)20-15(12)21)10-3-5-17-6-4-10/h7-10,17H,2-6H2,1H3,(H,20,22)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298127
PNG
(3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methyl-7-(...)
Show SMILES Cc1nn2c(cc(=O)[nH]c2c1-c1nnc(o1)C(C)(C)C)C1CCNCC1
Show InChI InChI=1S/C18H24N6O2/c1-10-14(16-21-22-17(26-16)18(2,3)4)15-20-13(25)9-12(24(15)23-10)11-5-7-19-8-6-11/h9,11,19H,5-8H2,1-4H3,(H,20,25)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298161
PNG
(Cyclobutyl 2-methyl-5-oxo-7-(piperidin-4-yl)-4,5-d...)
Show SMILES Cc1nn2c(cc(=O)[nH]c2c1C(=O)OC1CCC1)C1CCNCC1
Show InChI InChI=1S/C17H22N4O3/c1-10-15(17(23)24-12-3-2-4-12)16-19-14(22)9-13(21(16)20-10)11-5-7-18-8-6-11/h9,11-12,18H,2-8H2,1H3,(H,19,22)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298170
PNG
(7-(piperidin-4-yl)-3-(1,2-thiazol-5-yl)pyrazolo[1,...)
Show SMILES O=c1cc(C2CCNCC2)n2ncc(-c3ccns3)c2[nH]1
Show InChI InChI=1S/C14H15N5OS/c20-13-7-11(9-1-4-15-5-2-9)19-14(18-13)10(8-16-19)12-3-6-17-21-12/h3,6-9,15H,1-2,4-5H2,(H,18,20)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298253
PNG
(3-(cyclopentylcarbonyl)-7-(piperidin-4-yl)pyrazolo...)
Show SMILES O=C(C1CCCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C17H22N4O2/c22-15-9-14(11-5-7-18-8-6-11)21-17(20-15)13(10-19-21)16(23)12-3-1-2-4-12/h9-12,18H,1-8H2,(H,20,22)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297791
PNG
(Ethyl 5-oxo-7-(piperidin-4-yl)-4,5-dihydropyrazolo...)
Show SMILES CCOC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C14H18N4O3/c1-2-21-14(20)10-8-16-18-11(7-12(19)17-13(10)18)9-3-5-15-6-4-9/h7-9,15H,2-6H2,1H3,(H,17,19)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297809
PNG
(7-(Piperidin-4-yl)-3-(3-propyl-1,2,4-oxadiazol-5-y...)
Show SMILES CCCc1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C16H20N6O2/c1-2-3-13-19-16(24-21-13)11-9-18-22-12(8-14(23)20-15(11)22)10-4-6-17-7-5-10/h8-10,17H,2-7H2,1H3,(H,20,23)
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297842
PNG
((−)-trans-7-(2-Methylpiperidin-4-yl)-5-oxo-4...)
Show SMILES CC1CC(CCN1)c1cc(=O)[nH]c2c(cnn12)C#N
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297850
PNG
(3-(Phenylsulfonyl)-7-(piperidin-4-yl)pyrazolo[1,5-...)
Show SMILES O=c1cc(C2CCNCC2)n2ncc(c2[nH]1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N4O3S/c22-16-10-14(12-6-8-18-9-7-12)21-17(20-16)15(11-19-21)25(23,24)13-4-2-1-3-5-13/h1-5,10-12,18H,6-9H2,(H,20,22)
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298037
PNG
(3-{5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-ox...)
Show SMILES Cc1ccc(-c2nc(no2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N6O2/c1-11-2-3-13(15(8-11)21(22,23)24)20-28-18(29-32-20)14-10-26-30-16(9-17(31)27-19(14)30)12-4-6-25-7-5-12/h2-3,8-10,12,25H,4-7H2,1H3,(H,27,31)
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298114
PNG
(3-[(3,3-difluoroazetidin-1-yl)carbonyl]-7-(piperid...)
Show SMILES FC1(F)CN(C1)C(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C15H17F2N5O2/c16-15(17)7-21(8-15)14(24)10-6-19-22-11(5-12(23)20-13(10)22)9-1-3-18-4-2-9/h5-6,9,18H,1-4,7-8H2,(H,20,23)
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298238
PNG
(3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-meth...)
Show SMILES Cc1nn2c(cc(=O)[nH]c2c1-c1nc(no1)-c1ccccc1F)C1CCNCC1
Show InChI InChI=1S/C20H19FN6O2/c1-11-17(20-24-18(26-29-20)13-4-2-3-5-14(13)21)19-23-16(28)10-15(27(19)25-11)12-6-8-22-9-7-12/h2-5,10,12,22H,6-9H2,1H3,(H,23,28)
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM193000
PNG
(US10526329, Compound 180 | US11072611, Compound 18...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CCO)CC1
Show InChI InChI=1S/C25H29FN6OS/c1-3-21-24(29(2)25-28-22(17-34-25)18-4-6-19(26)7-5-18)32-16-20(8-9-23(32)27-21)31-12-10-30(11-13-31)14-15-33/h4-9,16-17,33H,3,10-15H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.

Curated by ChEMBL


Assay Description
Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluore...


J Med Chem 60: 7371-7392 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297797
PNG
(N-Benzyl-5-oxo-7-(piperidin-4-yl)-4,5-dihydropyraz...)
Show SMILES O=C(NCc1ccccc1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C19H21N5O2/c25-17-10-16(14-6-8-20-9-7-14)24-18(23-17)15(12-22-24)19(26)21-11-13-4-2-1-3-5-13/h1-5,10,12,14,20H,6-9,11H2,(H,21,26)(H,23,25)
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n/an/a 13n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297808
PNG
(3-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-7-(piperidin-...)
Show SMILES CC(C)c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C16H20N6O2/c1-9(2)14-20-16(24-21-14)11-8-18-22-12(7-13(23)19-15(11)22)10-3-5-17-6-4-10/h7-10,17H,3-6H2,1-2H3,(H,19,23)
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n/an/a 13n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297824
PNG
(4-[5-Oxo-7-(piperidin-4-yl)-4,5-dihydropyrazolo[1,...)
Show SMILES O=c1cc(C2CCNCC2)n2ncc(-c3ccc(cc3)C#N)c2[nH]1
Show InChI InChI=1S/C18H17N5O/c19-10-12-1-3-13(4-2-12)15-11-21-23-16(9-17(24)22-18(15)23)14-5-7-20-8-6-14/h1-4,9,11,14,20H,5-8H2,(H,22,24)
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n/an/a 13n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297837
PNG
(3-(3-Methoxyphenyl)-7-(piperidin-4-yl)pyrazolo[1,5...)
Show SMILES COc1cccc(c1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C18H20N4O2/c1-24-14-4-2-3-13(9-14)15-11-20-22-16(10-17(23)21-18(15)22)12-5-7-19-8-6-12/h2-4,9-12,19H,5-8H2,1H3,(H,21,23)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298061
PNG
(3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-7-(piperidi...)
Show SMILES Cc1sc(nc1-c1ccccc1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C21H21N5OS/c1-13-19(15-5-3-2-4-6-15)25-21(28-13)16-12-23-26-17(11-18(27)24-20(16)26)14-7-9-22-10-8-14/h2-6,11-12,14,22H,7-10H2,1H3,(H,24,27)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297796
PNG
(N-Isobutyl-5-oxo-7-(piperidin-4-yl)-4,5-dihydropyr...)
Show SMILES CC(C)CNC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C16H23N5O2/c1-10(2)8-18-16(23)12-9-19-21-13(7-14(22)20-15(12)21)11-3-5-17-6-4-11/h7,9-11,17H,3-6,8H2,1-2H3,(H,18,23)(H,20,22)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297798
PNG
(3-(Morpholin-4-ylcarbonyl)-7-(piperidin-4-yl)pyraz...)
Show SMILES O=C(N1CCOCC1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C16H21N5O3/c22-14-9-13(11-1-3-17-4-2-11)21-15(19-14)12(10-18-21)16(23)20-5-7-24-8-6-20/h9-11,17H,1-8H2,(H,19,22)
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297815
PNG
((−)-trans-3-Chloro-7-(2-methylpiperidin-4-yl...)
Show SMILES CC1CC(CCN1)c1cc(=O)[nH]c2c(Cl)cnn12
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297825
PNG
(3-(3-Chlorophenyl)-7-(piperidin-4-yl)pyrazolo[1,5-...)
Show SMILES Clc1cccc(c1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(8-13)14-10-20-22-15(9-16(23)21-17(14)22)11-4-6-19-7-5-11/h1-3,8-11,19H,4-7H2,(H,21,23)
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297847
PNG
(7-(Piperidin-4-yl)-3-[3-(trifluoromethoxy)phenyl]p...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C18H17F3N4O2/c19-18(20,21)27-13-3-1-2-12(8-13)14-10-23-25-15(9-16(26)24-17(14)25)11-4-6-22-7-5-11/h1-3,8-11,22H,4-7H2,(H,24,26)
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297939
PNG
(7-(piperidin-4-yl)-3-{3-[2-(trifluoromethoxy)pheny...)
Show SMILES FC(F)(F)Oc1ccccc1-c1noc(n1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C20H17F3N6O3/c21-20(22,23)31-15-4-2-1-3-12(15)17-27-19(32-28-17)13-10-25-29-14(9-16(30)26-18(13)29)11-5-7-24-8-6-11/h1-4,9-11,24H,5-8H2,(H,26,30)
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298065
PNG
(3-[5-(2-chlorobenzyl)-1,3,4-oxadiazol-2-yl]-7-(pip...)
Show SMILES Clc1ccccc1Cc1nnc(o1)-c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C20H19ClN6O2/c21-15-4-2-1-3-13(15)9-18-25-26-20(29-18)14-11-23-27-16(10-17(28)24-19(14)27)12-5-7-22-8-6-12/h1-4,10-12,22H,5-9H2,(H,24,28)
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298154
PNG
(Methyl 5-oxo-7-(piperidin-4-yl)-4,5-dihydropyrazol...)
Show SMILES COC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C13H16N4O3/c1-20-13(19)9-7-15-17-10(6-11(18)16-12(9)17)8-2-4-14-5-3-8/h6-8,14H,2-5H2,1H3,(H,16,18)
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298177
PNG
(3-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)-7-(piperidi...)
Show SMILES O=c1cc(C2CCNCC2)n2ncc(-c3noc(n3)C3CC3)c2[nH]1
Show InChI InChI=1S/C16H18N6O2/c23-13-7-12(9-3-5-17-6-4-9)22-15(19-13)11(8-18-22)14-20-16(24-21-14)10-1-2-10/h7-10,17H,1-6H2,(H,19,23)
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298182
PNG
(3-(5-Cyclopentyl-1,2,4-oxadiazol-3-yl)-7-(piperidi...)
Show SMILES O=c1cc(C2CCNCC2)n2ncc(-c3noc(n3)C3CCCC3)c2[nH]1
Show InChI InChI=1S/C18H22N6O2/c25-15-9-14(11-5-7-19-8-6-11)24-17(21-15)13(10-20-24)16-22-18(26-23-16)12-3-1-2-4-12/h9-12,19H,1-8H2,(H,21,25)
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM298247
PNG
(3-[5-(3-fluoro-4-methoxybenzyl)-1,3,4-oxadiazol-2-...)
Show SMILES COc1ccc(Cc2nnc(o2)-c2cnn3c(cc(=O)[nH]c23)C2CCNCC2)cc1F
Show InChI InChI=1S/C21H21FN6O3/c1-30-17-3-2-12(8-15(17)22)9-19-26-27-21(31-19)14-11-24-28-16(10-18(29)25-20(14)28)13-4-6-23-7-5-13/h2-3,8,10-11,13,23H,4-7,9H2,1H3,(H,25,29)
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297793
PNG
(Benzyl 5-oxo-7-(piperidin-4-yl)-4,5-dihydropyrazol...)
Show SMILES O=C(OCc1ccccc1)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C19H20N4O3/c24-17-10-16(14-6-8-20-9-7-14)23-18(22-17)15(11-21-23)19(25)26-12-13-4-2-1-3-5-13/h1-5,10-11,14,20H,6-9,12H2,(H,22,24)
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n/an/a 15n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM297794
PNG
(N-Ethyl-5-oxo-7-(piperidin-4-yl)-4,5-dihydropyrazo...)
Show SMILES CCNC(=O)c1cnn2c(cc(=O)[nH]c12)C1CCNCC1
Show InChI InChI=1S/C14H19N5O2/c1-2-16-14(21)10-8-17-19-11(7-12(20)18-13(10)19)9-3-5-15-6-4-9/h7-9,15H,2-6H2,1H3,(H,16,21)(H,18,20)
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n/an/a 15n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by sel...


US Patent US10118930 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05J5
More data for this
Ligand-Target Pair
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