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Compile Data Set for Download or QSAR

Found 218 hits Enz. Inhib. hit(s) with all data for entry = 11326   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM607812
PNG
(US11691962, Compound 1-210)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1nccn1C)c1ccc(F)c(F)c1F |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607813
PNG
(US11691962, Compound 1-211)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1nccn1C)c1ccc(F)c(C)c1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607814
PNG
(US11691962, Compound 1-212)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1nccn1C)c1ccc(F)c(F)c1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607815
PNG
(US11691962, Compound 1-213)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1cccc(F)c1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607816
PNG
(US11691962, Compound 1-214)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(F)c(C)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607817
PNG
(US11691962, Compound 1-215)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(F)c(F)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607818
PNG
(US11691962, Compound 1-216)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(C)c(F)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607819
PNG
(US11691962, Compound 1-217)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1cc(F)ccc1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607820
PNG
(US11691962, Compound 1-218)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1nccn1C)c1ccc(C)c(C)c1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607821
PNG
(US11691962, Compound 1-219)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1cc(F)ccc1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607729
PNG
(US11691962, Compound 1-127)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1ccc(C)c(C)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607730
PNG
(US11691962, Compound 1-128)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1cccc(F)c1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607731
PNG
(US11691962, Compound 1-129)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1ccc(C)c(Cl)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607732
PNG
(US11691962, Compound 1-130)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1ccccc1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607734
PNG
(US11691962, Compound 1-132)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1cc(C)ccc1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607736
PNG
(US11691962, Compound 1-134)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1cccc(F)c1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607737
PNG
(US11691962, Compound 1-135)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1cc(F)ccc1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607738
PNG
(US11691962, Compound 1-136)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1ccc(C)c(F)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607739
PNG
(US11691962, Compound 1-137)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1nccn1C)c1cc(F)ccc1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607740
PNG
(US11691962, Compound 1-138)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1cccc(Cl)c1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607742
PNG
(US11691962, Compound 1-140)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1cccc(C)c1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607743
PNG
(US11691962, Compound 1-141)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1cc(Cl)ccc1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607744
PNG
(US11691962, Compound 1-142)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1ccc(C)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607745
PNG
(US11691962, Compound 1-143)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1cc(C)ccc1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607746
PNG
(US11691962, Compound 1-144)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1cc(F)ccc1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607747
PNG
(US11691962, Compound 1-145)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1ccc(C)c(C)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607748
PNG
(US11691962, Compound 1-146)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1cccc(F)c1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607749
PNG
(US11691962, Compound 1-147)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccn(C)n1)c1ccc(C)c(Cl)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607752
PNG
(US11691962, Compound 1-150)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1cccc(F)c1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607753
PNG
(US11691962, Compound 1-151)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1cccc(F)c1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607754
PNG
(US11691962, Compound 1-152)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(C)c(C)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607755
PNG
(US11691962, Compound 1-153)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(F)c(C)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607756
PNG
(US11691962, Compound 1-154)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(C)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607757
PNG
(US11691962, Compound 1-155)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(C)c(F)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607758
PNG
(US11691962, Compound 1-156)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(F)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607760
PNG
(US11691962, Compound 1-158)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(F)c(F)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607761
PNG
(US11691962, Compound 1-159)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(F)cc1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607762
PNG
(US11691962, Compound 1-160)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(C)cc1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607763
PNG
(US11691962, Compound 1-161)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1ccc(C)cc1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607764
PNG
(US11691962, Compound 1-162)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1cc(F)ccc1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607765
PNG
(US11691962, Compound 1-163)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1cc(F)ccc1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607766
PNG
(US11691962, Compound 1-164)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1cc(C)ccc1F |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607768
PNG
(US11691962, Compound 1-166)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1ccnn1C)c1cc(C)ccc1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607769
PNG
(US11691962, Compound 1-167)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1nnco1)c1ccccc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607770
PNG
(US11691962, Compound 1-168)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(=O)N(C)c1nncs1)c1ccccc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607774
PNG
(US11691962, Compound 1-172)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1cnn(C)c1)c1ccc(C)c(F)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607777
PNG
(US11691962, Compound 1-175)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1cnn(C)c1)c1ccc(C)c(C)c1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607780
PNG
(US11691962, Compound 1-178)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1cnn(C)c1)c1cc(F)ccc1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607781
PNG
(US11691962, Compound 1-179)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1cnn(C)c1)c1ccc(C)cc1C |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM607784
PNG
(US11691962, Compound 1-182)
Show SMILES CC[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2cc(C)nc(N)c2)C1=O)C(=O)N(C)c1cnn(C)c1)c1cc(F)ccc1F |r|
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BindingDB Entry DOI: 10.7270/Q23R0XZV
More data for this
Ligand-Target Pair
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