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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50015841   
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 X


(Homo sapiens (Human))
BDBM50590085
PNG
(CHEMBL5187102)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1nc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
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0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12400
PNG
(1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50590072
PNG
(CHEMBL3904655)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Br)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12372
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50590086
PNG
(CHEMBL5192536)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccnc2n1Cc1cc(on1)-c1ccc(Cl)s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590082
PNG
(CHEMBL5175184)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590073
PNG
(CHEMBL5175600)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(I)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590087
PNG
(CHEMBL5179837)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1n(Cc2cc(on2)-c2ccc(Cl)s2)nc2ccccc12
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8n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590097
PNG
(CHEMBL5187449)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1nn(Cc2cc(on2)-c2ccc(Cl)s2)c2ccccc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590083
PNG
(CHEMBL5192808)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccnc2n1CC(=O)Nc1ccc(Cl)cc1
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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590078
PNG
(CHEMBL5175799)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Br)s1
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12n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590081
PNG
(CHEMBL5180386)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(s1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590099
PNG
(CHEMBL5193338)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccn(Cc2cc(on2)-c2ccc(Cl)s2)n1
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37n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590075
PNG
(CHEMBL5190215)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(cc1)C#C
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49n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590084
PNG
(CHEMBL5208176)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cccn1CC(=O)Nc1ccc(Cl)cc1
PDB
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51n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590089
PNG
(CHEMBL5181980)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccnn1Cc1cc(on1)-c1ccc(Cl)s1
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52n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590080
PNG
(CHEMBL5185736)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(C)s1
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55n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590074
PNG
(CHEMBL5187415)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(C)cc1
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56n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590088
PNG
(CHEMBL5192209)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cccn1Cc1cc(on1)-c1ccc(Cl)s1
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57n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590071
PNG
(CHEMBL5178354)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(F)cc1
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63n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590096
PNG
(CHEMBL5173515)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cn(Cc2cc(on2)-c2ccc(Cl)s2)c2ncccc12
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65n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590077
PNG
(CHEMBL5188689)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(F)s1
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70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590076
PNG
(CHEMBL5204725)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1cccs1
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162n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590079
PNG
(CHEMBL5193560)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(I)s1
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188n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590070
PNG
(CHEMBL5206688)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccccc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590093
PNG
(CHEMBL5186260)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)n1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590095
PNG
(CHEMBL5199539)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cn(Cc2cc(on2)-c2ccc(Cl)s2)c2ccccc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590098
PNG
(CHEMBL5194849)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccn(Cc2cc(on2)-c2ccc(Cl)s2)c1
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1.24E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590092
PNG
(CHEMBL5205467)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1nn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12
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1.74E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590091
PNG
(CHEMBL5202796)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ncccc12
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2.93E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590090
PNG
(CHEMBL5175878)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12
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5.13E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590100
PNG
(CHEMBL5176283)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cn(Cc2cc(on2)-c2ccc(Cl)s2)cn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.48E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50590094
PNG
(CHEMBL5205339)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)cn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.05E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00865
BindingDB Entry DOI: 10.7270/Q2BP06RZ
More data for this
Ligand-Target Pair