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PubMed code 30406661

Compile data set for download or QSAR
Found 5 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM50218197
PNG
((-)-beta-Sitosterol | (24R)-Ethylcholest-5-en-3bet...)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13|
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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PubMed
267n/an/an/an/an/an/an/an/a



Institute of Medicinal and Aromatic Plants

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human thrombin using T1637 as substrate by Michaelis-Menten plot analysis


J Nat Prod 81: 2521-2530 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00574
BindingDB Entry DOI: 10.7270/Q2BZ68RT
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50218197
PNG
((-)-beta-Sitosterol | (24R)-Ethylcholest-5-en-3bet...)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13|
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



Institute of Medicinal and Aromatic Plants

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human washed platelets assessed as reduction in thrombin-induced platelet aggregation after 5 mins


J Nat Prod 81: 2521-2530 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00574
BindingDB Entry DOI: 10.7270/Q2BZ68RT
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50218197
PNG
((-)-beta-Sitosterol | (24R)-Ethylcholest-5-en-3bet...)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13|
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Institute of Medicinal and Aromatic Plants

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human platelet rich plasma assessed as reduction in thrombin-induced platelet aggregation after 5 mins


J Nat Prod 81: 2521-2530 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00574
BindingDB Entry DOI: 10.7270/Q2BZ68RT
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50218197
PNG
((-)-beta-Sitosterol | (24R)-Ethylcholest-5-en-3bet...)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13|
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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Article
PubMed
n/an/a 1.50E+6n/an/an/an/an/an/a



Institute of Medicinal and Aromatic Plants

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human platelet rich plasma assessed as reduction in arachidonic acid-induced platelet aggregation after 5 mins


J Nat Prod 81: 2521-2530 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00574
BindingDB Entry DOI: 10.7270/Q2BZ68RT
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50218197
PNG
((-)-beta-Sitosterol | (24R)-Ethylcholest-5-en-3bet...)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13|
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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CHEMBL
MCE
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Article
PubMed
n/an/a 1.50E+6n/an/an/an/an/an/a



Institute of Medicinal and Aromatic Plants

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human platelet rich plasma assessed as reduction in ADP-induced platelet aggregation after 5 mins


J Nat Prod 81: 2521-2530 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00574
BindingDB Entry DOI: 10.7270/Q2BZ68RT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%