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Found 1187 hits with Last Name = 'wrigglesworth' and Initial = 'j'   
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
E3 ubiquitin-protein ligase SMURF1


(Homo sapiens (Human))
BDBM239101
PNG
(US10195181, Example 2.2 | US9403810, 2.2)
Show SMILES Cc1c(noc1C1=CCC(C)(C)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7|
Show InChI InChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)17-11-13-24(3,4)14-12-17)22(29)25-20-16(2)27(5)28(23(20)30)18-9-7-6-8-10-18/h11,18H,6-10,12-14H2,1-5H3,(H,25,29)
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US Patent
n/an/a 0.900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...


US Patent US10195181 (2019)


BindingDB Entry DOI: 10.7270/Q28054Q2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))
BDBM239101
PNG
(US10195181, Example 2.2 | US9403810, 2.2)
Show SMILES Cc1c(noc1C1=CCC(C)(C)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |t:7|
Show InChI InChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)17-11-13-24(3,4)14-12-17)22(29)25-20-16(2)27(5)28(23(20)30)18-9-7-6-8-10-18/h11,18H,6-10,12-14H2,1-5H3,(H,25,29)
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US Patent
n/an/a 0.900n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...


US Patent US9403810 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F1F
More data for this
Ligand-Target Pair
CTP synthase 2


(Rattus norvegicus)
BDBM50609673
PNG
(CHEMBL5267968)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1F)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1
PDB

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More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM652564
PNG
(N5-((4-methyl-6-(8-methyl-3-(trifluoromethyl)-5,6-...)
Show SMILES CC1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
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More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM652566
PNG
((S*)-N5-((4-methyl-6-(8-methyl-3-(trifluoromethyl)...)
Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
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Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM652569
PNG
(N5-((4-ethyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1...)
Show SMILES CCc1cc(ncc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F
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Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652690
PNG
(4-chloro-6-N-{[2-({2-methyl-5H,6H,7H,8H-imidazo[1,...)
Show SMILES Cc1cn2CCC(COc3cc(CNc4ccc5c(N)ncc(Cl)c5c4)ccn3)Cc2n1
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More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652680
PNG
(N5-((2-((3-isopropyl-3-azabicyclo[3.2.1]octan-8-yl...)
Show SMILES CC(C)N1CC2CCC(C1)C2COc1cc(CNc2cccc3c(N)nccc23)ccn1
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More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652682
PNG
(5-N-({2-[(1-isopropylpiperidin-4-yl)methoxy]pyridi...)
Show SMILES CC(C)N1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
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Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652684
PNG
(4-{[(4-{[(1-aminoisoquinolin-5-yl)amino]methyl}pyr...)
Show SMILES Cn1ccc(COc2cc(CNc3cccc4c(N)nccc34)ccn2)cc1=O
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More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652688
PNG
(4-fluoro-6-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridi...)
Show SMILES Nc1ncc(F)c2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12
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More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM652764
PNG
(N5-((3-methyl-5-(3-(trifluoromethyl)-5,6-dihydro-[...)
Show SMILES Cc1cc(cnc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F
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Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM652744
PNG
(8-methyl-N-((2-((1-methylpiperidin-4-yl)methoxy)py...)
Show SMILES CN1CCC(COc2cc(CNc3cc(C)c4cnccc4c3)ccn2)CC1
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Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM652573
PNG
(2-chloro-N-((4-methyl-6-(3-(trifluoromethyl)-5,6-d...)
Show SMILES Cc1cc(ncc1CNc1ccnc2[nH]c(Cl)cc12)N1CCn2c(C1)nnc2C(F)(F)F
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Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652716
PNG
((R*)-N5-((2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyri...)
Show SMILES Nc1nccc2c(NCc3ccnc(OC[C@@H]4CCn5ccnc5C4)c3)cccc12
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Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652715
PNG
((S*)-N5-((2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyri...)
Show SMILES Nc1nccc2c(NCc3ccnc(OC[C@H]4CCn5ccnc5C4)c3)cccc12
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Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652713
PNG
(3-[(4-{[(1-amino-4-chloroisoquinolin-6-yl)amino]me...)
Show SMILES Nc1ncc(Cl)c2cc(NCc3ccnc(NCCC(=O)N4CCCC4)c3)ccc12
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Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652462
PNG
(5-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmet...)
Show SMILES Nc1nccc2c(NCc3cnc(OCC4CCn5ccnc5C4)nc3)cccc12
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Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM652548
PNG
(N5-((4-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[...)
Show SMILES Cc1cc(ncc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F
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Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1


(Homo sapiens (Human))
BDBM239117
PNG
(US10195181, Example 22c | US9403810, 22)
Show SMILES CC1CCC(OC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C
Show InChI InChI=1S/C22H32N4O4/c1-13-10-11-17(29-12-13)20-14(2)18(24-30-20)21(27)23-19-15(3)25(4)26(22(19)28)16-8-6-5-7-9-16/h13,16-17H,5-12H2,1-4H3,(H,23,27)
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US Patent
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Novartis AG

US Patent


Assay Description
To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...


US Patent US10195181 (2019)


BindingDB Entry DOI: 10.7270/Q28054Q2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))
BDBM239132
PNG
(US9403810, 22c)
Show SMILES C[C@@H]1CC[C@H](OC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C
Show InChI InChI=1S/C22H32N4O4/c1-13-10-11-17(29-12-13)20-14(2)18(24-30-20)21(27)23-19-15(3)25(4)26(22(19)28)16-8-6-5-7-9-16/h13,16-17H,5-12H2,1-4H3,(H,23,27)/t13-,17+/m1/s1
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n/an/a 1.40n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...


US Patent US9403810 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F1F
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))
BDBM239094
PNG
(US10195181, Example 1.3 | US9403810, 1.3)
Show SMILES CCC1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:5|
Show InChI InChI=1S/C24H34N4O3/c1-5-17-11-13-18(14-12-17)22-15(2)20(26-31-22)23(29)25-21-16(3)27(4)28(24(21)30)19-9-7-6-8-10-19/h13,17,19H,5-12,14H2,1-4H3,(H,25,29)
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Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...


US Patent US9403810 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F1F
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1


(Homo sapiens (Human))
BDBM239094
PNG
(US10195181, Example 1.3 | US9403810, 1.3)
Show SMILES CCC1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C |c:5|
Show InChI InChI=1S/C24H34N4O3/c1-5-17-11-13-18(14-12-17)22-15(2)20(26-31-22)23(29)25-21-16(3)27(4)28(24(21)30)19-9-7-6-8-10-19/h13,17,19H,5-12,14H2,1-4H3,(H,25,29)
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Novartis AG

US Patent


Assay Description
To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1...


US Patent US10195181 (2019)


BindingDB Entry DOI: 10.7270/Q28054Q2
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652428
PNG
(N-({6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-y...)
Show SMILES CN1CCC(COc2ccc(CNc3ccc4cnccc4c3)cn2)CC1
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Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM652428
PNG
(N-({6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-y...)
Show SMILES CN1CCC(COc2ccc(CNc3ccc4cnccc4c3)cn2)CC1
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Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652432
PNG
(6-N-({6-[(1-isopropylpiperidin-4-yl)methoxy]pyridi...)
Show SMILES CC(C)N1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1
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Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652433
PNG
(6-N-({2-[(1-methylpiperidin-4-yl)methoxy]pyrimidin...)
Show SMILES CN1CCC(COc2ncc(CNc3ccc4c(N)nccc4c3)cn2)CC1
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Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652744
PNG
(8-methyl-N-((2-((1-methylpiperidin-4-yl)methoxy)py...)
Show SMILES CN1CCC(COc2cc(CNc3cc(C)c4cnccc4c3)ccn2)CC1
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More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM652428
PNG
(N-({6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-y...)
Show SMILES CN1CCC(COc2ccc(CNc3ccc4cnccc4c3)cn2)CC1
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Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652520
PNG
(US20240059691, Example 1248 | methyl 4-(((6-(((1-m...)
Show SMILES COC(=O)c1c[nH]c2nccc(NCc3ccc(NCC4CCN(C)CC4)nc3)c12
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More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652622
PNG
(6-N-[(4-{[(1-ethylpiperidin-4-yl)oxy]methyl}-2-flu...)
Show SMILES CCN1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
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Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM652621
PNG
(5-N-[(4-{[(1-ethylpiperidin-4-yl)oxy]methyl}-2-flu...)
Show SMILES CCN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
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More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652621
PNG
(5-N-[(4-{[(1-ethylpiperidin-4-yl)oxy]methyl}-2-flu...)
Show SMILES CCN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
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More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM652621
PNG
(5-N-[(4-{[(1-ethylpiperidin-4-yl)oxy]methyl}-2-flu...)
Show SMILES CCN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
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Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652619
PNG
(N6-(2-fluoro-4-((((4R*,5S*)-2-methyl-2-azabicyclo[...)
Show SMILES CN1C[C@H]2CC1C[C@@H]2OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
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Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652618
PNG
(N6-(2-fluoro-4-((((4R*,5R*)-2-methyl-2-azabicyclo[...)
Show SMILES CN1C[C@H]2CC1C[C@H]2OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
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More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM652617
PNG
(5-N-[(2-fluoro-4-{[(1-methylpiperidin-4-yl)oxy]met...)
Show SMILES CN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
PDB

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n/an/a 2n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652617
PNG
(5-N-[(2-fluoro-4-{[(1-methylpiperidin-4-yl)oxy]met...)
Show SMILES CN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
PDB
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM652617
PNG
(5-N-[(2-fluoro-4-{[(1-methylpiperidin-4-yl)oxy]met...)
Show SMILES CN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
PDB
MMDB

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n/an/a 2n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM652617
PNG
(5-N-[(2-fluoro-4-{[(1-methylpiperidin-4-yl)oxy]met...)
Show SMILES CN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
PDB

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n/an/a 2n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM652613
PNG
(N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)...)
Show SMILES CN1CCC(CC1)OCc1ccc(CNc2ccc3cnccc3c2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 2n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652613
PNG
(N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)...)
Show SMILES CN1CCC(CC1)OCc1ccc(CNc2ccc3cnccc3c2)cc1
PDB
MMDB

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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM652613
PNG
(N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)...)
Show SMILES CN1CCC(CC1)OCc1ccc(CNc2ccc3cnccc3c2)cc1
PDB
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n/an/a 2n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM652613
PNG
(N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)...)
Show SMILES CN1CCC(CC1)OCc1ccc(CNc2ccc3cnccc3c2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652647
PNG
(6-N-({2-[(1-methylpiperidin-4-yl)methoxy]pyridin-4...)
Show SMILES CN1CCC(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
PDB
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n/an/a 2n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM652646
PNG
(5-N-[[2-[(1-methyl-4-piperidyl)methoxy]-4-pyridyl]...)
Show SMILES CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
PDB

UniProtKB/SwissProt

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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652646
PNG
(5-N-[[2-[(1-methyl-4-piperidyl)methoxy]-4-pyridyl]...)
Show SMILES CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
PDB
MMDB

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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM652646
PNG
(5-N-[[2-[(1-methyl-4-piperidyl)methoxy]-4-pyridyl]...)
Show SMILES CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
PDB
MMDB

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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM652643
PNG
(6-N-({1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4...)
Show SMILES CN1CCC(CCn2cc(CNc3ccc4c(N)nccc4c3)cn2)CC1
PDB
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n/an/a 2n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM652646
PNG
(5-N-[[2-[(1-methyl-4-piperidyl)methoxy]-4-pyridyl]...)
Show SMILES CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
PDB

UniProtKB/SwissProt

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
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