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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Ki
IC50
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Found
27
hits with Last Name = 'steele' and Initial = 'ra'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598740
(CHEMBL5175227)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r|
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UniChem
Article
PubMed
0.120
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598739
(CHEMBL5188215)
Show SMILES
COCC[C@H](c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1)n1cc(cn1)-c1cnnn1C |r|
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UniChem
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PubMed
0.130
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598738
(CHEMBL5204065)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](Cc1ccc(F)cc1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r|
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UniChem
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PubMed
0.130
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598724
(CHEMBL5170592)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r|
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PubMed
0.170
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598737
(CHEMBL5205631)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r|
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UniChem
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0.200
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598741
(CHEMBL5204894)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](Cc1ccc(F)cc1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI
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UniChem
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PubMed
0.220
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598725
(CHEMBL5185397)
Show SMILES
COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1
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PubMed
0.25
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598743
(CHEMBL5178223)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(nn1)C(F)(F)F |r|
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UniChem
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PubMed
0.260
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598734
(CHEMBL5197480)
Show SMILES
Cc1ncsc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1
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PubMed
0.300
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598745
(CHEMBL5198823)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](Cc1ccn(n1)C(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(nn1)C(F)(F)F |r|
Show InChI
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UniChem
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PubMed
0.300
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598736
(CHEMBL5208095)
Show SMILES
Cn1cncc1-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r|
Show InChI
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PDB
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PubMed
0.400
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598744
(CHEMBL5190323)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](Cn1cc(F)cn1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI
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PC sid
UniChem
Article
PubMed
0.420
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598732
(CHEMBL5192284)
Show SMILES
[O-][n+]1cc(ccc1C(CC1CC1)n1cc(cn1)-c1c(F)cncc1Cl)-c1c(F)c(Cl)ccc1-n1cnnn1
Show InChI
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Article
PubMed
0.700
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598742
(CHEMBL5182855)
Show SMILES
COCC[C@H](c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1)n1cc(cn1)-c1cnnn1C |r|
Show InChI
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UniChem
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PubMed
1.10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598729
(CHEMBL5195600)
Show SMILES
COC(=O)Nc1ccc(cc1)-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r|
Show InChI
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Article
PubMed
1.30
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598727
(CHEMBL5198338)
Show SMILES
COC(=O)Nc1ccc(cc1)-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1
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PubMed
1.5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598735
(CHEMBL5193267)
Show SMILES
Cn1nccc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1
Show InChI
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PubMed
1.60
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598730
(CHEMBL5204289)
Show SMILES
Cc1nc(N)ccc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1
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PubMed
2.40
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598731
(CHEMBL5198972)
Show SMILES
Nc1ccc(-c2cnn(c2)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2-n2cnnn2)c(F)n1
Show InChI
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3.10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598733
(CHEMBL5188316)
Show SMILES
[O-][n+]1cc(ccc1C(CC1CC1)n1cc(cn1)-c1cncs1)-c1c(F)c(Cl)ccc1-n1cnnn1
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PubMed
6.40
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598726
(CHEMBL5171252)
Show SMILES
COC(=O)Nc1ccc(cc1)-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1
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PubMed
7.80
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598728
(CHEMBL5180591)
Show SMILES
COC(=O)Nc1ccc(cc1)-c1cnn(c1)[C@@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r|
Show InChI
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UniChem
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PubMed
61
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor XI
(Homo sapiens (Human))
BDBM50598724
(CHEMBL5170592)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI
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PC cid
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UniChem
PDB
Article
PubMed
n/a
n/a
0.330
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Plasma kallikrein
(Homo sapiens (Human))
BDBM50598724
(CHEMBL5170592)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r|
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PubMed
n/a
n/a
23
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50598724
(CHEMBL5170592)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI
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PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Prothrombin
(Homo sapiens (Human))
BDBM50598724
(CHEMBL5170592)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
2.10E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
Coagulation factor X
(Homo sapiens (Human))
BDBM50598724
(CHEMBL5170592)
Show SMILES
Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>9.80E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00442
BindingDB Entry DOI:
10.7270/Q2C82FBD
More data for this
Ligand-Target Pair
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