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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'farthing' and Initial = 'je'   
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))
BDBM50269526
PNG
((1S,2R,4aR,4bR,6aS,6bS,7R,9aS,10aS,12aR)-2-Acetoxy...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@@H]-1-[#6@@H]2-[#6@H](-[#6][C@]3([#6])[#6]-4=[#6]-[#6]-[#6@@H]5[C@]([#6])([#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@@]5([#6])[#6](-[#8])=O)[#6@H]-4-[#6]-[#6][C@@]23[#6])-[#8]-[#6]-1=O |r,t:13|
Show InChI InChI=1S/C32H44O7/c1-17(2)14-19(34)15-20-26-23(39-27(20)35)16-31(6)22-8-9-24-29(4,21(22)10-13-30(26,31)5)12-11-25(38-18(3)33)32(24,7)28(36)37/h8,14,20-21,23-26H,9-13,15-16H2,1-7H3,(H,36,37)/t20-,21+,23+,24-,25-,26-,29-,30+,31-,32+/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
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PC sid
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fibrinogen-clot assay


J Nat Prod 61: 1328-31 (1999)


Article DOI: 10.1021/np970464j
BindingDB Entry DOI: 10.7270/Q2X63MQ2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50269525
PNG
((2S,4S,7R,8S,9S,12R,13R,16R,19S,20R)-2,9,13,19-tet...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@@H]-1-[#6@@H]2-[#6@H](-[#6][C@]3([#6])[#6]-4=[#6]-[#6]-[#6@H]5[C@@]6([#6])[#6@@H](-[#6]-[#6][C@]5([#6])[#6@H]-4-[#6]-[#6][C@@]23[#6])-[#8]-[#6]6=O)-[#8]-[#6]-1=O |r,t:13|
Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1
PDB

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n/an/a 50n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fibrinogen-clot assay


J Nat Prod 61: 1328-31 (1999)


Article DOI: 10.1021/np970464j
BindingDB Entry DOI: 10.7270/Q2X63MQ2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50269529
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6][C@]12[#6]-[#6@@H]-3-[#8]-[#6](=O)-[#6@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6@H]-3[C@]1([#6])[#6@@H](-[#8])-[#6]-[#6@H]1-[#6]2=[#6]-[#6]-[#6@@H]2[C@]1([#6])[#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@@]2([#6])[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r,t:29|
Show InChI InChI=1S/C40H56O15/c1-18(2)12-21(44)13-22-30-25(53-34(22)49)15-40(17-51-19(3)42)23-8-9-27-37(5,24(23)14-28(45)39(30,40)7)11-10-29(52-20(4)43)38(27,6)36(50)55-35-33(48)32(47)31(46)26(16-41)54-35/h8,12,22,24-33,35,41,45-48H,9-11,13-17H2,1-7H3/t22-,24+,25+,26-,27-,28+,29-,30-,31-,32+,33-,35+,37-,38+,39+,40+/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
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n/an/a 70n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fibrinogen-clot assay


J Nat Prod 61: 1328-31 (1999)


Article DOI: 10.1021/np970464j
BindingDB Entry DOI: 10.7270/Q2X63MQ2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50269527
PNG
((1S,2R,4aR,4bR,6S,6aS,6bS,7R,9aS,10aR,12aR)-2-Acet...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@@H]-1-[#6@@H]2-[#6@H](-[#6][C@]3([#6])[#6]-4=[#6]-[#6]-[#6@@H]5[C@]([#6])([#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@@]5([#6])[#6](-[#8])=O)[#6@H]-4-[#6]-[#6@H](-[#8])[C@@]23[#6])-[#8]-[#6]-1=O |r,t:13|
Show InChI InChI=1S/C32H44O8/c1-16(2)12-18(34)13-19-26-22(40-27(19)36)15-30(5)20-8-9-23-29(4,21(20)14-24(35)32(26,30)7)11-10-25(39-17(3)33)31(23,6)28(37)38/h8,12,19,21-26,35H,9-11,13-15H2,1-7H3,(H,37,38)/t19-,21+,22+,23-,24+,25-,26-,29-,30-,31+,32+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fibrinogen-clot assay


J Nat Prod 61: 1328-31 (1999)


Article DOI: 10.1021/np970464j
BindingDB Entry DOI: 10.7270/Q2X63MQ2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50269528
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6@@H]1-[#6]-[#6][C@]2([#6])[#6@H]-3-[#6]-[#6@H](-[#8])[C@@]4([#6])[#6@H]-5-[#6@H](-[#6][C@]4([#6]-[#8])[#6]-3=[#6]-[#6]-[#6@H]2[C@]1([#6])[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8])-[#8]-[#6](=O)-[#6@@H]-5-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6] |r,c:23|
Show InChI InChI=1S/C38H54O14/c1-17(2)11-19(42)12-20-28-23(50-32(20)47)14-38(16-40)21-7-8-25-35(4,22(21)13-26(43)37(28,38)6)10-9-27(49-18(3)41)36(25,5)34(48)52-33-31(46)30(45)29(44)24(15-39)51-33/h7,11,20,22-31,33,39-40,43-46H,8-10,12-16H2,1-6H3/t20-,22+,23+,24-,25-,26+,27-,28-,29-,30+,31-,33+,35-,36+,37+,38+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fibrinogen-clot assay


J Nat Prod 61: 1328-31 (1999)


Article DOI: 10.1021/np970464j
BindingDB Entry DOI: 10.7270/Q2X63MQ2
More data for this
Ligand-Target Pair