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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'scully' and Initial = 'mf'   
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))
BDBM50126692
PNG
(2-((2-Methoxy-benzenesulfonyl)-{3-methyl-5-[2-(pyr...)
Show SMILES COc1ccccc1S(=O)(=O)N(CC(N)=O)c1cc(C)cc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C23H26N4O5S/c1-17-13-19(15-20(14-17)32-12-11-26-18-7-9-25-10-8-18)27(16-23(24)28)33(29,30)22-6-4-3-5-21(22)31-2/h3-10,13-15H,11-12,16H2,1-2H3,(H2,24,28)(H,25,26)
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4n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126682
PNG
(CHEMBL286529 | Thiophene-2-sulfonic acid 3-methyl-...)
Show SMILES Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C18H18N2O4S2/c1-14-11-16(23-9-8-20-15-4-6-19-7-5-15)13-17(12-14)24-26(21,22)18-3-2-10-25-18/h2-7,10-13H,8-9H2,1H3,(H,19,20)
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5n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126697
PNG
(2-Nitro-benzenesulfonic acid 3-methyl-5-[2-(pyridi...)
Show SMILES Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2ccccc2[N+]([O-])=O)c1
Show InChI InChI=1S/C20H19N3O6S/c1-15-12-17(28-11-10-22-16-6-8-21-9-7-16)14-18(13-15)29-30(26,27)20-5-3-2-4-19(20)23(24)25/h2-9,12-14H,10-11H2,1H3,(H,21,22)
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6n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070629
PNG
(4-[2-(3-Benzenesulfonylamino-5-methyl-phenoxy)-eth...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)
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25n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126683
PNG
(3-Chloro-N-methyl-N-phenyl-5-[2-(pyridin-4-ylamino...)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C20H20ClN3O3S/c1-24(18-5-3-2-4-6-18)28(25,26)20-14-16(21)13-19(15-20)27-12-11-23-17-7-9-22-10-8-17/h2-10,13-15H,11-12H2,1H3,(H,22,23)
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40n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126688
PNG
(CHEMBL24403 | [2-(3-Benzenesulfonyl-5-chloro-pheno...)
Show SMILES Clc1cc(OCCNc2ccncc2)cc(c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H17ClN2O3S/c20-15-12-17(25-11-10-22-16-6-8-21-9-7-16)14-19(13-15)26(23,24)18-4-2-1-3-5-18/h1-9,12-14H,10-11H2,(H,21,22)
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50n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070596
PNG
(CHEMBL282549 | N-Methyl-N-{3-[2-(pyridin-4-ylamino...)
Show SMILES CN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H21N3O3S/c1-23(27(24,25)20-8-3-2-4-9-20)18-6-5-7-19(16-18)26-15-14-22-17-10-12-21-13-11-17/h2-13,16H,14-15H2,1H3,(H,21,22)
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63n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126698
PNG
(CHEMBL25118 | [2-(3-Benzenesulfonyl-5-methoxy-phen...)
Show SMILES COc1cc(OCCNc2ccncc2)cc(c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O4S/c1-25-17-13-18(26-12-11-22-16-7-9-21-10-8-16)15-20(14-17)27(23,24)19-5-3-2-4-6-19/h2-10,13-15H,11-12H2,1H3,(H,21,22)
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158n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126691
PNG
(4-methyl,N-(4-methylbenzenesulfonyl)-N-{3-[2-(pyri...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H27N3O5S2/c1-21-6-10-26(11-7-21)36(31,32)30(37(33,34)27-12-8-22(2)9-13-27)24-4-3-5-25(20-24)35-19-18-29-23-14-16-28-17-15-23/h3-17,20H,18-19H2,1-2H3,(H,28,29)
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270n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126694
PNG
(4-Fluoro-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-pheny...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C19H18FN3O3S/c20-15-4-6-19(7-5-15)27(24,25)23-17-2-1-3-18(14-17)26-13-12-22-16-8-10-21-11-9-16/h1-11,14,23H,12-13H2,(H,21,22)
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316n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126684
PNG
(CHEMBL25246 | [2-(3-Benzenesulfonyl-phenoxy)-ethyl...)
Show SMILES O=S(=O)(c1ccccc1)c1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C19H18N2O3S/c22-25(23,18-6-2-1-3-7-18)19-8-4-5-17(15-19)24-14-13-21-16-9-11-20-12-10-16/h1-12,15H,13-14H2,(H,20,21)
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316n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070632
PNG
(4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
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316n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126700
PNG
(4-Chloro-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-pheny...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C19H18ClN3O3S/c20-15-4-6-19(7-5-15)27(24,25)23-17-2-1-3-18(14-17)26-13-12-22-16-8-10-21-11-9-16/h1-11,14,23H,12-13H2,(H,21,22)
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631n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126696
PNG
(CHEMBL26244 | N-Methyl-N-{3-[2-(methyl-pyridin-4-y...)
Show SMILES CN(CCOc1cccc(c1)N(C)S(=O)(=O)c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H23N3O3S/c1-23(18-11-13-22-14-12-18)15-16-27-20-8-6-7-19(17-20)24(2)28(25,26)21-9-4-3-5-10-21/h3-14,17H,15-16H2,1-2H3
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631n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126687
PNG
(CHEMBL24830 | [2-(3-di(Benzenesulfonyl)amino-pheno...)
Show SMILES CC(C)(C)OC(=O)N(CCOc1cccc(c1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccncc1
Show InChI InChI=1S/C30H31N3O7S2/c1-30(2,3)40-29(34)32(24-17-19-31-20-18-24)21-22-39-26-12-10-11-25(23-26)33(41(35,36)27-13-6-4-7-14-27)42(37,38)28-15-8-5-9-16-28/h4-20,23H,21-22H2,1-3H3
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970n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126685
PNG
(CHEMBL282014 | [2-(3-Benzenesulfonylamino-phenoxy)...)
Show SMILES CC(C)(C)OC(=O)N(CCOc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccncc1
Show InChI InChI=1S/C24H27N3O5S/c1-24(2,3)32-23(28)27(20-12-14-25-15-13-20)16-17-31-21-9-7-8-19(18-21)26-33(29,30)22-10-5-4-6-11-22/h4-15,18,26H,16-17H2,1-3H3
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1.23E+3n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126690
PNG
(CHEMBL25540 | N-Phenyl-3-[2-(pyridin-4-ylamino)-et...)
Show SMILES O=S(=O)(Nc1ccccc1)c1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C19H19N3O3S/c23-26(24,22-17-5-2-1-3-6-17)19-8-4-7-18(15-19)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
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1.59E+3n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126699
PNG
(4-Methyl-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-pheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C20H21N3O3S/c1-16-5-7-20(8-6-16)27(24,25)23-18-3-2-4-19(15-18)26-14-13-22-17-9-11-21-12-10-17/h2-12,15,23H,13-14H2,1H3,(H,21,22)
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1.59E+3n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126693
PNG
(CHEMBL431897 | [2-(3-Benzylamino-phenoxy)-ethyl]-p...)
Show SMILES C(COc1cccc(NCc2ccccc2)c1)Nc1ccncc1
Show InChI InChI=1S/C20H21N3O/c1-2-5-17(6-3-1)16-23-19-7-4-8-20(15-19)24-14-13-22-18-9-11-21-12-10-18/h1-12,15,23H,13-14,16H2,(H,21,22)
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2.00E+3n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126689
PNG
(2-Cyclohexanesulfonylamino-N-[1-(piperidine-1-carb...)
Show SMILES O=C(CNS(=O)(=O)C1CCCCC1)NC(CCNc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H35N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h9-10,12-13,19-20,25H,1-8,11,14-17H2,(H,23,24)(H,26,28)
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4.00E+3n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126686
PNG
(CHEMBL25699 | Pyridin-4-yl-{2-[3-(di(toluene-4-sul...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(c1cccc(OCCN(C(=O)OC(C)(C)C)c2ccncc2)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C32H35N3O7S2/c1-24-9-13-29(14-10-24)43(37,38)35(44(39,40)30-15-11-25(2)12-16-30)27-7-6-8-28(23-27)41-22-21-34(26-17-19-33-20-18-26)31(36)42-32(3,4)5/h6-20,23H,21-22H2,1-5H3
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3.07E+4n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126695
PNG
(CHEMBL24713 | Pyridin-4-yl-{2-[3-(toluene-4-sulfon...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(OCCN(C(=O)OC(C)(C)C)c2ccncc2)c1
Show InChI InChI=1S/C25H29N3O5S/c1-19-8-10-23(11-9-19)34(30,31)27-20-6-5-7-22(18-20)32-17-16-28(21-12-14-26-15-13-21)24(29)33-25(2,3)4/h5-15,18,27H,16-17H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.00E+4n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair