BindingDB logo
myBDB logout

Patent code US10695334

Compile Data Set for Download or QSAR
Found 98 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasma kallikrein


(Homo sapiens (Human))
BDBM448385
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)nc1C(F)F
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448388
PNG
(7-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c2ncncc12
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448390
PNG
(1-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES Cc1nn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448386
PNG
(1-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES COCc1nn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448394
PNG
(1-[(6-{5-Azaspiro[2.3]hexan-5-yl}-2-methylpyridin-...)
Show SMILES COCc1nn(Cc2ccc(nc2C)N2CC3(CC3)C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448393
PNG
(7-[(2-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3C(C2)C3(F)F)c2ncncc12
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448387
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES COCc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448384
PNG
(7-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)c2ncncc12
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448392
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES COc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448395
PNG
(7-[(2-{3-Azabicyclo[3.1.0]hexan-3-yl}-4-methyl- | ...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3CC3C2)c2ncncc12
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.300n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448391
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.300n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448377
PNG
(1-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.300n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448382
PNG
(1-[(6-{5-azaspiro[2.3]hexan-5-yl}-2-methylpyridin-...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3(CC3)C2)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.400n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448400
PNG
(N-[(6R)-3-Methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-...)
Show SMILES C[C@@H]1[C@@H]2CN(C[C@H]12)c1ccc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.400n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448376
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3CC3C2)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448378
PNG
(4-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cc(Cc2ccc(nc2C)N2CC3CC3C2)cs1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448379
PNG
(4-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1nc(ccc1Cc1cc(C(O)=O)n(COCC[Si](C)(C)C)c1)N1CC2CC2C1
Show InChI InChI=1S/C23H33N3O3Si/c1-16-18(5-6-22(24-16)25-13-19-11-20(19)14-25)9-17-10-21(23(27)28)26(12-17)15-29-7-8-30(2,3)4/h5-6,10,12,19-20H,7-9,11,13-15H2,1-4H3,(H,27,28)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.700n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448411
PNG
(N-[(6R)-3-Methyl-2H,4H,5H,6H-cyclopenta[c]- | US10...)
Show SMILES C[C@@H]1[C@@H]2CN(C[C@H]12)c1ccc(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.800n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448396
PNG
(1{[6-(3,3-Dimethylpyrrolidin-1-yl)-2-methylpyridin...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(C)(C)C2)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.900n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448416
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-cyano- | U...)
Show SMILES Cc1[nH]nc2C(CCc12)NC(=O)c1cn(Cc2ccc(nc2C#N)N2CC3CC3C2)cn1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448408
PNG
(1-[(6-(3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1nc(cn1Cc1ccc(nc1C)N1CC2CC2C1)C(=O)NC1CCc2c(C)[nH]nc12
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448406
PNG
(1-[(2-{3-Azabicyclo[3.1.0]hexan-3-yl}-4-methylpyri...)
Show SMILES Cc1c2CC[C@@H](NC(=O)c3cn(Cc4cnc(nc4C)N4CC5CC5C4)nn3)c2nn1COCC[Si](C)(C)C
Show InChI InChI=1S/C27H39N9O2Si/c1-17-21(11-28-27(29-17)34-12-19-10-20(19)13-34)14-35-15-24(31-33-35)26(37)30-23-7-6-22-18(2)36(32-25(22)23)16-38-8-9-39(3,4)5/h11,15,19-20,23H,6-10,12-14,16H2,1-5H3,(H,30,37)/t19?,20?,23-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448402
PNG
(1-[(6-{2-Azaspiro[3.31]heptan-2-yl}-2-methylpyridi...)
Show SMILES Cc1c2CC[C@@H](NC(=O)c3cnn(Cc4ccc(F)nc4C)c3)c2nn1COCC[Si](C)(C)C
Show InChI InChI=1S/C24H33FN6O2Si/c1-16-18(6-9-22(25)27-16)13-30-14-19(12-26-30)24(32)28-21-8-7-20-17(2)31(29-23(20)21)15-33-10-11-34(3,4)5/h6,9,12,14,21H,7-8,10-11,13,15H2,1-5H3,(H,28,32)/t21-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448407
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(n1)C1CC1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448320
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2C(CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3CC3C2)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448404
PNG
(1-{[6-(3-Cyano-3-methylpyrrolidin-1-yl)-2-methylpy...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(C)(C2)C#N)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448401
PNG
(N-[(6R)-3-Methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCCC2)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448397
PNG
(1-[(6-{6-Azaspiro[3.4]octan-6-yl}-2-methylpyridin-...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC3(CCC3)C2)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448410
PNG
(1-({6-[(1R,5S,6S)-6-(Hydroxymethyl)-3-aza- | US106...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2c(C)cc(nc2C)N2C[C@H]3[C@@H](CO)[C@H]3C2)cn1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448403
PNG
(1-{[6-(3,3-Dimethylazetidin-1-yl)-2-methylpyridin-...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC(C)(C)C2)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448399
PNG
(1-({6-[3-(Difluoromethyl)pyrrolidin-1-yl]-2-methyl...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(C2)C(F)F)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448398
PNG
(1-{[6-(3,3-Difluoropyrrolidin-1-yl)-2-methylpyridi...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(F)(F)C2)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448412
PNG
(1-({4-Methyl-2-[(1R,5S,6R)-6-methyl-3- | US1069533...)
Show SMILES C[C@@H]1[C@@H]2CN(C[C@H]12)c1ncc(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448383
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)nc1Cl
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448380
PNG
(4-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cc(Cc2ccc(nc2C)N2CC3CC3C2)c(s1)C#N
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448414
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}pyridin-3-yl)...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CC3C2)cn1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448415
PNG
(1-[(6-{5-Azaspiro[2.3]hexan-5-yl}pyridin-3-yl)- | ...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3(CC3)C2)cn1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448413
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(Cl)n1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448405
PNG
(1-{[6-(3-Fluoro-3-methylazetidin-1-yl)-2-methylpyr...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC(C)(F)C2)c1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448381
PNG
(2-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1nnn(Cc2ccc(nc2C)N2CC3CC3C2)n1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448417
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES COC(=O)c1ccc2n(Cc3ccc(nc3C)N3CC4CC4C3)cc(C(=O)N[C@@H]3CCc4c(C)n(COCC[Si](C)(C)C)nc34)c2c1
Show InChI InChI=1S/C36H46N6O4Si/c1-22-25(8-12-33(37-22)41-18-26-15-27(26)19-41)17-40-20-30(29-16-24(36(44)45-3)7-11-32(29)40)35(43)38-31-10-9-28-23(2)42(39-34(28)31)21-46-13-14-47(4,5)6/h7-8,11-12,16,20,26-27,31H,9-10,13-15,17-19,21H2,1-6H3,(H,38,43)/t26?,27?,31-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM448409
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(n1)C(F)(F)F
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24 C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448393
PNG
(7-[(2-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3C(C2)C3(F)F)c2ncncc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448425
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1c2CC[C@@H](NC(=O)c3cn(Cc4ccc(nc4C)N4CC5CC5C4)nn3)c2nn1COCC[Si](C)(C)C
Show InChI InChI=1S/C28H40N8O2Si/c1-18-20(6-9-26(29-18)34-13-21-12-22(21)14-34)15-35-16-25(31-33-35)28(37)30-24-8-7-23-19(2)36(32-27(23)24)17-38-10-11-39(3,4)5/h6,9,16,21-22,24H,7-8,10-15,17H2,1-5H3,(H,30,37)/t21?,22?,24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448416
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-cyano- | U...)
Show SMILES Cc1[nH]nc2C(CCc12)NC(=O)c1cn(Cc2ccc(nc2C#N)N2CC3CC3C2)cn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448383
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)nc1Cl
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448384
PNG
(7-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)c2ncncc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448395
PNG
(7-[(2-{3-Azabicyclo[3.1.0]hexan-3-yl}-4-methyl- | ...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3CC3C2)c2ncncc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448418
PNG
(1-[(2-{3-Azabicyclo[3.1.0]hexan-3-yl}-4-methyl- | ...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3CC3C2)nc1C
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448397
PNG
(1-[(6-{6-Azaspiro[3.4]octan-6-yl}-2-methylpyridin-...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC3(CCC3)C2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448399
PNG
(1-({6-[3-(Difluoromethyl)pyrrolidin-1-yl]-2-methyl...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(C2)C(F)F)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448400
PNG
(N-[(6R)-3-Methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-...)
Show SMILES C[C@@H]1[C@@H]2CN(C[C@H]12)c1ccc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448421
PNG
(1-[(6-{3-Azabicyclo[4.1.0]heptan-3-yl}-2-methylpyr...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC3CC3C2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448423
PNG
(N-[(6R)-3-Methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-...)
Show SMILES CC1C2CC2CN1c1ccc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448426
PNG
(1-[(6-{5-Azaspiro[2.3]hexan-5-yl}-2-methylpyridin-...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3(CC3)C2)cn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448428
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)cn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448408
PNG
(1-[(6-(3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1nc(cn1Cc1ccc(nc1C)N1CC2CC2C1)C(=O)NC1CCc2c(C)[nH]nc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448409
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(n1)C(F)(F)F
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448413
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(Cl)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448385
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)nc1C(F)F
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448391
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448392
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES COc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448398
PNG
(1-{[6-(3,3-Difluoropyrrolidin-1-yl)-2-methylpyridi...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(F)(F)C2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448410
PNG
(1-({6-[(1R,5S,6S)-6-(Hydroxymethyl)-3-aza- | US106...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2c(C)cc(nc2C)N2C[C@H]3[C@@H](CO)[C@H]3C2)cn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448380
PNG
(4-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cc(Cc2ccc(nc2C)N2CC3CC3C2)c(s1)C#N
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448381
PNG
(2-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1nnn(Cc2ccc(nc2C)N2CC3CC3C2)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448382
PNG
(1-[(6-{5-azaspiro[2.3]hexan-5-yl}-2-methylpyridin-...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3(CC3)C2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448420
PNG
(1-[(6-{5-Azaspiro[2.4]heptan-5-yl]-2-methylpyridin...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC3(CC3)C2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448401
PNG
(N-[(6R)-3-Methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCCC2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448405
PNG
(1-{[6-(3-Fluoro-3-methylazetidin-1-yl)-2-methylpyr...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC(C)(F)C2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448429
PNG
(1-[(2-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3C(C2)C3(F)F)cn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448407
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(n1)C1CC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448432
PNG
(5-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1ccc(Cc2ccc(nc2C)N2CC3CC3C2)[nH]1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448422
PNG
(N-[(6R)-3-Methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-...)
Show SMILES C[C@H]1[C@@H]2CN(C[C@H]12)c1ccc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448430
PNG
(1-[(2-{5-Azaspiro[2.3]hexan-5-yl}-4-methyl- | US10...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3(CC3)C2)cn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448414
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}pyridin-3-yl)...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CC3C2)cn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448388
PNG
(7-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c2ncncc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448377
PNG
(1-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448404
PNG
(1-{[6-(3-Cyano-3-methylpyrrolidin-1-yl)-2-methylpy...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(C)(C2)C#N)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448427
PNG
(1-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)cn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448431
PNG
(1-({6-[(1R,5S,6R)-6-(hydroxymethyl)-3-azabicyclo[3...)
Show SMILES Cc1c2CC[C@@H](NC(=O)c3cnn(Cc4ccc(nc4C)N4C[C@H]5[C@@H](CO)[C@H]5C4)c3)c2nn1COCC[Si](C)(C)C
Show InChI InChI=1S/C30H43N7O3Si/c1-19-21(6-9-28(32-19)35-15-24-25(16-35)26(24)17-38)13-36-14-22(12-31-36)30(39)33-27-8-7-23-20(2)37(34-29(23)27)18-40-10-11-41(3,4)5/h6,9,12,14,24-27,38H,7-8,10-11,13,15-18H2,1-5H3,(H,33,39)/t24-,25+,26-,27-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448378
PNG
(4-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cc(Cc2ccc(nc2C)N2CC3CC3C2)cs1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448379
PNG
(4-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1nc(ccc1Cc1cc(C(O)=O)n(COCC[Si](C)(C)C)c1)N1CC2CC2C1
Show InChI InChI=1S/C23H33N3O3Si/c1-16-18(5-6-22(24-16)25-13-19-11-20(19)14-25)9-17-10-21(23(27)28)26(12-17)15-29-7-8-30(2,3)4/h5-6,10,12,19-20H,7-9,11,13-15H2,1-4H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448394
PNG
(1-[(6-{5-Azaspiro[2.3]hexan-5-yl}-2-methylpyridin-...)
Show SMILES COCc1nn(Cc2ccc(nc2C)N2CC3(CC3)C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448419
PNG
(7-[(2-{5-Azaspiro[2.3]hexan-5-yl}-4-methyl- | US10...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3(CC3)C2)c2ncncc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448402
PNG
(1-[(6-{2-Azaspiro[3.31]heptan-2-yl}-2-methylpyridi...)
Show SMILES Cc1c2CC[C@@H](NC(=O)c3cnn(Cc4ccc(F)nc4C)c3)c2nn1COCC[Si](C)(C)C
Show InChI InChI=1S/C24H33FN6O2Si/c1-16-18(6-9-22(25)27-16)13-30-14-19(12-26-30)24(32)28-21-8-7-20-17(2)31(29-23(20)21)15-33-10-11-34(3,4)5/h6,9,12,14,21H,7-8,10-11,13,15H2,1-5H3,(H,28,32)/t21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448411
PNG
(N-[(6R)-3-Methyl-2H,4H,5H,6H-cyclopenta[c]- | US10...)
Show SMILES C[C@@H]1[C@@H]2CN(C[C@H]12)c1ccc(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448412
PNG
(1-({4-Methyl-2-[(1R,5S,6R)-6-methyl-3- | US1069533...)
Show SMILES C[C@@H]1[C@@H]2CN(C[C@H]12)c1ncc(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c(C)[nH]nc23)c(C)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448417
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES COC(=O)c1ccc2n(Cc3ccc(nc3C)N3CC4CC4C3)cc(C(=O)N[C@@H]3CCc4c(C)n(COCC[Si](C)(C)C)nc34)c2c1
Show InChI InChI=1S/C36H46N6O4Si/c1-22-25(8-12-33(37-22)41-18-26-15-27(26)19-41)17-40-20-30(29-16-24(36(44)45-3)7-11-32(29)40)35(43)38-31-10-9-28-23(2)42(39-34(28)31)21-46-13-14-47(4,5)6/h7-8,11-12,16,20,26-27,31H,9-10,13-15,17-19,21H2,1-6H3,(H,38,43)/t26?,27?,31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448386
PNG
(1-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES COCc1nn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448376
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3CC3C2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448320
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methylpyri...)
Show SMILES Cc1n[nH]c2C(CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3CC3C2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448396
PNG
(1{[6-(3,3-Dimethylpyrrolidin-1-yl)-2-methylpyridin...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CCC(C)(C)C2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448424
PNG
(1-[(2-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cnn(Cc2cnc(nc2C)N2CC3C(C2)C3(F)F)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448406
PNG
(1-[(2-{3-Azabicyclo[3.1.0]hexan-3-yl}-4-methylpyri...)
Show SMILES Cc1c2CC[C@@H](NC(=O)c3cn(Cc4cnc(nc4C)N4CC5CC5C4)nn3)c2nn1COCC[Si](C)(C)C
Show InChI InChI=1S/C27H39N9O2Si/c1-17-21(11-28-27(29-17)34-12-19-10-20(19)13-34)14-35-15-24(31-33-35)26(37)30-23-7-6-22-18(2)36(32-25(22)23)16-38-8-9-39(3,4)5/h11,15,19-20,23H,6-10,12-14,16H2,1-5H3,(H,30,37)/t19?,20?,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448415
PNG
(1-[(6-{5-Azaspiro[2.3]hexan-5-yl}pyridin-3-yl)- | ...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3(CC3)C2)cn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448387
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES COCc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448390
PNG
(1-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...)
Show SMILES Cc1nn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37 C. For ...


US Patent US10695334 (2020)

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