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PubChem AID 602369

Compile Data Set for Download or QSAR

Found 396 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
Thrombin


(Bos taurus (Bovine))
BDBM83506
PNG
((5Z)-5-[[2-(3-isopropoxypropylamino)-4-keto-9-meth...)
Show SMILES CCCN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Show InChI InChI=1S/C22H28N4O3S2/c1-5-10-26-21(28)17(31-22(26)30)13-16-18(23-9-7-12-29-14(2)3)24-19-15(4)8-6-11-25(19)20(16)27/h6,8,11,13-14,23H,5,7,9-10,12H2,1-4H3/b17-13-
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n/an/a 148n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM52848
PNG
(MLS000333673 | Methanesulfonic acid 3-oxo-2-[1-(2,...)
Show SMILES COc1cc(OC)c(\C=C2/Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1OC
Show InChI InChI=1S/C19H18O8S/c1-23-14-10-17(25-3)16(24-2)7-11(14)8-18-19(20)13-6-5-12(9-15(13)26-18)27-28(4,21)22/h5-10H,1-4H3/b18-8-
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n/an/a 468n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM39775
PNG
((5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl...)
Show SMILES CN(C)c1ccc(\C=C\C=C2\SC(=S)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H18N2OS2/c1-21(2)16-13-11-15(12-14-16)7-6-10-18-19(23)22(20(24)25-18)17-8-4-3-5-9-17/h3-14H,1-2H3/b7-6+,18-10+
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n/an/a 529n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88892
PNG
(MLS000401485 | N-(2-chlorophenyl)-2-[(2E)-2-[(2-mo...)
Show SMILES [O-][N+](=O)c1ccc(\[NH+]=N\[CH-]c2sc(nc2-c2ccccc2)N2CCOCC2)c(c1)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C26H22ClN6O5S2/c27-20-8-4-5-9-21(20)31-40(36,37)24-16-19(33(34)35)10-11-22(24)30-28-17-23-25(18-6-2-1-3-7-18)29-26(39-23)32-12-14-38-15-13-32/h1-11,16-17,31H,12-15H2/q-1/p+1/b30-28+
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n/an/a 564n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM60483
PNG
((5Z)-5-(4-hydroxy-3,5-dimethoxy-benzylidene)-2-(p-...)
Show SMILES COc1cc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc(OC)c1O
Show InChI InChI=1S/C19H17NO4S/c1-11-4-6-13(7-5-11)19-20-18(22)16(25-19)10-12-8-14(23-2)17(21)15(9-12)24-3/h4-10,21H,1-3H3/b16-10-
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n/an/a 1.37E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88918
PNG
(MLS001006760 | N-[(E)-1-(1-benzofuran-2-yl)ethylid...)
Show SMILES C[C-](\N=[NH+]\c1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1
Show InChI InChI=1S/C16H12N3O3/c1-11(16-10-12-4-2-3-5-15(12)22-16)17-18-13-6-8-14(9-7-13)19(20)21/h2-10H,1H3/q-1/p+1/b18-17+
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n/an/a 1.62E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM83218
PNG
(1-[(Z)-3-indolylidenemethyl]-2-(4-nitrophenyl)hydr...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N=[NH+]Cc1c[n-]c2ccccc12
Show InChI InChI=1S/C15H11N4O2/c20-19(21)13-7-5-12(6-8-13)18-17-10-11-9-16-15-4-2-1-3-14(11)15/h1-9H,10H2/q-1/p+1
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n/an/a 2.05E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM45037
PNG
((2Z)-2-[(2-hydroxy-5-nitro-anilino)methylene]benzo...)
Show SMILES Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H9N2O4S/c18-12-6-5-9(17(20)21)7-11(12)16-8-14-15(19)10-3-1-2-4-13(10)22-14/h1-8,18H/q-1/p+1/b16-8+
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n/an/a 2.57E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM66127
PNG
((5E)-3-benzyl-5-(4-hydroxy-3,5-dimethoxy-benzylide...)
Show SMILES COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
Show InChI InChI=1S/C19H17NO4S2/c1-23-14-8-13(9-15(24-2)17(14)21)10-16-18(22)20(19(25)26-16)11-12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3/b16-10+
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n/an/a 2.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM75822
PNG
((2Z)-2-(p-anisidinomethylene)benzo[e]benzofuran-1-...)
Show SMILES COc1ccc(cc1)N=Cc1oc2ccc3ccccc3c2c1O
Show InChI InChI=1S/C20H15NO3/c1-23-15-9-7-14(8-10-15)21-12-18-20(22)19-16-5-3-2-4-13(16)6-11-17(19)24-18/h2-12,22H,1H3
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n/an/a 3.81E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88955
PNG
(Averufin | MLS000563186 | SMR000470849 | cid_63829...)
Show SMILES C[C@]12CCC[C@H](O1)c1c(O)c3C(=O)c4c(O)cc(O)cc4C(=O)c3cc1O2
Show InChI InChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1
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n/an/a 4.81E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM46319
PNG
(3-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C18H12N2O4S3/c21-15(22)7-8-20-17(23)14(27-18(20)25)9-10-5-6-12(24-10)16-19-11-3-1-2-4-13(11)26-16/h1-6,9H,7-8H2,(H,21,22)/b14-9-
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n/an/a 5.11E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM89017
PNG
((4-aminophenyl)-diethyl-amine | 4-N,4-N-diethylben...)
Show SMILES CCN(CC)c1ccc(N)cc1
Show InChI InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
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n/an/a 5.11E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM60885
PNG
((2E)-2-[(2Z)-2-(3-hydroxy-4-keto-cyclohexa-2,5-die...)
Show SMILES COc1ccc(cc1)-n1c(C=Cc2ccc(O)c(O)c2)nc2ccccc2c1=O
Show InChI InChI=1S/C23H18N2O4/c1-29-17-10-8-16(9-11-17)25-22(13-7-15-6-12-20(26)21(27)14-15)24-19-5-3-2-4-18(19)23(25)28/h2-14,26-27H,1H3
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n/an/a 6.49E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM29677
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C24H21N3O4/c1-27(12-5-11-25)21(28)15-31-24(29)22-18-7-2-3-8-20(18)26-23-16(9-10-19(22)23)14-17-6-4-13-30-17/h2-4,6-8,13-14H,5,9-10,12,15H2,1H3/b16-14+
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n/an/a 6.71E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88829
PNG
(4-[(E)-(1-butyl-2-benzimidazolyl)iminomethyl]-N,N-...)
Show SMILES CCCCn1c(\N=C\c2ccc(cc2)N(C)C)nc2ccccc12
Show InChI InChI=1S/C20H24N4/c1-4-5-14-24-19-9-7-6-8-18(19)22-20(24)21-15-16-10-12-17(13-11-16)23(2)3/h6-13,15H,4-5,14H2,1-3H3/b21-15+
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n/an/a 7.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88839
PNG
((4Z)-4-[(2-methyl-1H-indol-3-yl)methylene]-2-pheny...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccccc1
Show InChI InChI=1S/C19H14N2O2/c1-12-15(14-9-5-6-10-16(14)20-12)11-17-19(22)23-18(21-17)13-7-3-2-4-8-13/h2-11,20H,1H3/b17-11-
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n/an/a 7.22E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM32319
PNG
((5Z)-2-morpholino-5-[[5-(p-tolyl)-2-furyl]methylen...)
Show SMILES Cc1ccc(cc1)-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1
Show InChI InChI=1S/C19H18N2O3S/c1-13-2-4-14(5-3-13)16-7-6-15(24-16)12-17-18(22)20-19(25-17)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3/b17-12-
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n/an/a 7.72E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM76125
PNG
((3-butyl-7-methyl-6,8-dioxoisochromen-7-yl) cyclop...)
Show SMILES CCCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1
Show InChI InChI=1S/C20H24O5/c1-3-4-9-15-10-14-11-17(21)20(2,18(22)16(14)12-24-15)25-19(23)13-7-5-6-8-13/h10-13H,3-9H2,1-2H3
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n/an/a 7.84E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88889
PNG
(MLS000409349 | N-(2-cyanophenyl)-2-[(4-keto-5,6-di...)
Show SMILES Cc1sc2nc(CSCC(=O)Nc3ccccc3C#N)[nH]c(=O)c2c1C
Show InChI InChI=1S/C18H16N4O2S2/c1-10-11(2)26-18-16(10)17(24)21-14(22-18)8-25-9-15(23)20-13-6-4-3-5-12(13)7-19/h3-6H,8-9H2,1-2H3,(H,20,23)(H,21,22,24)
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n/an/a 8.26E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM89038
PNG
(6-bromanyl-2-(3-chlorophenyl)-3-[(2-methoxyphenyl)...)
Show SMILES COc1ccccc1Cc1c(nc2ccc(Br)cn12)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H16BrClN2O/c1-26-19-8-3-2-5-14(19)12-18-21(15-6-4-7-17(23)11-15)24-20-10-9-16(22)13-25(18)20/h2-11,13H,12H2,1H3
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n/an/a 8.29E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM46591
PNG
(2-chloranyl-4-[5-[(Z)-2-[(5-methyl-1H-1,2,4-triazo...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1
Show InChI InChI=1S/C17H12ClN3O5S/c1-8-19-17(21-20-8)27-14(16(24)25)7-10-3-5-13(26-10)9-2-4-11(15(22)23)12(18)6-9/h2-7H,1H3,(H,22,23)(H,24,25)(H,19,20,21)
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n/an/a 9.79E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM49575
PNG
(1-(4-nitrophenyl)-2-[(Z)-2-pyrrolylidenemethyl]hyd...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N=[NH+]Cc1ccc[n-]1
Show InChI InChI=1S/C11H9N4O2/c16-15(17)11-5-3-9(4-6-11)14-13-8-10-2-1-7-12-10/h1-7H,8H2/q-1/p+1
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n/an/a 9.84E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM89008
PNG
(2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-yl-p...)
Show SMILES CCc1ccccc1OCC(=O)Nc1ccc(cc1C)N1CCCC1
Show InChI InChI=1S/C21H26N2O2/c1-3-17-8-4-5-9-20(17)25-15-21(24)22-19-11-10-18(14-16(19)2)23-12-6-7-13-23/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,24)
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n/an/a 9.96E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM48876
PNG
(3-[5-[(Z)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-9-10-20(31-17)15-7-4-8-16(11-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-5-2-1-3-6-14/h1-13,25H,(H,29,30)/b18-12-,25-21?
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n/an/a 1.02E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88861
PNG
(MLS000585465 | N'-[(1E)-(2-hydroxy-5-nitrophen...)
Show SMILES [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c1
Show InChI InChI=1S/C23H15N4O4/c28-22-11-10-17(27(30)31)12-16(22)14-24-26-23(29)19-13-21(15-6-2-1-3-7-15)25-20-9-5-4-8-18(19)20/h1-14H,(H,26,29)/q-1/p+1/b24-14+
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n/an/a 1.07E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM77761
PNG
(MLS000688351 | SMR000283782 | cid_1603092)
Show SMILES COc1cc2C(=O)C(=O)N3c2c(c1)C(C)=CC3(C)C
Show InChI InChI=1S/C15H15NO3/c1-8-7-15(2,3)16-12-10(8)5-9(19-4)6-11(12)13(17)14(16)18/h5-7H,1-4H3
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n/an/a 1.14E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM41095
PNG
(5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1
Show InChI InChI=1S/C24H19N3O5/c1-29-22-12-15(11-16(13-25)23-26-18-5-3-4-6-19(18)27-23)7-9-20(22)31-14-17-8-10-21(32-17)24(28)30-2/h3-12H,14H2,1-2H3,(H,26,27)/b16-11+
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n/an/a 1.14E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM81261
PNG
(3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-4-pyr...)
Show SMILES COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
Show InChI InChI=1S/C27H26N3O/c1-28(2)21-15-14-20(27(17-21)31-4)16-23-22-12-8-9-13-24(22)30-26(23)18-25(29(30)3)19-10-6-5-7-11-19/h5-18H,1-4H3/q+1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88827
PNG
((6E)-6-[(5-ethyl-2-hydroxy-anilino)methylene]-2-me...)
Show SMILES CCc1ccc(O)c(c1)N=Cc1cccc(C)c1O
Show InChI InChI=1S/C16H17NO2/c1-3-12-7-8-15(18)14(9-12)17-10-13-6-4-5-11(2)16(13)19/h4-10,18-19H,3H2,1-2H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88966
PNG
((E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-(2-methylfu...)
Show SMILES Cc1occc1C(=O)C(=Cc1ccc(O)c(Br)c1)C#N
Show InChI InChI=1S/C15H10BrNO3/c1-9-12(4-5-20-9)15(19)11(8-17)6-10-2-3-14(18)13(16)7-10/h2-7,18H,1H3
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n/an/a 1.21E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM89037
PNG
(2-(3-bromophenyl)-6-chloranyl-3-[(2-methoxyphenyl)...)
Show SMILES COc1ccccc1Cc1c(nc2ccc(Cl)cn12)-c1cccc(Br)c1
Show InChI InChI=1S/C21H16BrClN2O/c1-26-19-8-3-2-5-14(19)12-18-21(15-6-4-7-16(22)11-15)24-20-10-9-17(23)13-25(18)20/h2-11,13H,12H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88841
PNG
(2-[5-[(Z)-[4-carbethoxy-3-keto-5-(p-anisidino)-2-t...)
Show SMILES CCOC(=O)C1C(=O)C(SC1=Nc1ccc(OC)cc1)=Cc1ccc(o1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C26H21NO7S/c1-3-33-26(31)22-23(28)21(35-24(22)27-15-8-10-16(32-2)11-9-15)14-17-12-13-20(34-17)18-6-4-5-7-19(18)25(29)30/h4-14,22H,3H2,1-2H3,(H,29,30)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM52103
PNG
((5E)-5-[[4-(diethylamino)anilino]methylene]-1-o-ph...)
Show SMILES CCOc1ccccc1-n1c(O)c(C=Nc2ccc(cc2)N(CC)CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H26N4O4/c1-4-26(5-2)17-13-11-16(12-14-17)24-15-18-21(28)25-23(30)27(22(18)29)19-9-7-8-10-20(19)31-6-3/h7-15,29H,4-6H2,1-3H3,(H,25,28,30)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50132130
PNG
(7-Methoxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carb...)
Show SMILES COc1ccc2c3CCNC(C)c3[nH]c2c1
Show InChI InChI=1S/C13H16N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3
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n/an/a 1.37E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88920
PNG
(MLS001003751 | N-[(E)-3-pyridinylmethylideneamino]...)
Show SMILES N(N=Cc1cccnc1)C1=Nc2cccc3cccc1c23
Show InChI InChI=1S/C17H12N4/c1-5-13-6-2-8-15-16(13)14(7-1)17(20-15)21-19-11-12-4-3-9-18-10-12/h1-11H,(H,20,21)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88987
PNG
((2S)-1-[2-[(2Z)-2-(2,4-dimethoxybenzylidene)-3-ket...)
Show SMILES COc1ccc(\C=C2/Oc3cc(OCC(=O)N4CCC[C@H]4C(O)=O)ccc3C2=O)c(OC)c1
Show InChI InChI=1S/C24H23NO8/c1-30-15-6-5-14(19(11-15)31-2)10-21-23(27)17-8-7-16(12-20(17)33-21)32-13-22(26)25-9-3-4-18(25)24(28)29/h5-8,10-12,18H,3-4,9,13H2,1-2H3,(H,28,29)/b21-10-/t18-/m0/s1
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n/an/a 1.43E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88891
PNG
(3-(2-furanyl)-5-[(E)-2-(2-furanyl)ethenyl]-2-pheny...)
Show SMILES C1C(N(N=C1C=Cc1ccco1)c1ccccc1)c1ccco1
Show InChI InChI=1S/C19H16N2O2/c1-2-6-16(7-3-1)21-18(19-9-5-13-23-19)14-15(20-21)10-11-17-8-4-12-22-17/h1-13,18H,14H2
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n/an/a 1.48E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88906
PNG
(3-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazol...)
Show SMILES O=C(CCN1C(=S)S\C(=C\c2cccs2)C1=O)Nc1ccccn1
Show InChI InChI=1S/C16H13N3O2S3/c20-14(18-13-5-1-2-7-17-13)6-8-19-15(21)12(24-16(19)22)10-11-4-3-9-23-11/h1-5,7,9-10H,6,8H2,(H,17,18,20)/b12-10+
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n/an/a 1.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88994
PNG
(2-[(3-methoxynaphthalen-2-yl)carbonylamino]-6-prop...)
Show SMILES COc1cc2ccccc2cc1C(=O)Nc1sc2CN(CCc2c1C(N)=O)C(C)C
Show InChI InChI=1S/C23H25N3O3S/c1-13(2)26-9-8-16-19(12-26)30-23(20(16)21(24)27)25-22(28)17-10-14-6-4-5-7-15(14)11-18(17)29-3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,24,27)(H,25,28)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88863
PNG
(3-Amino-5,7-dimethyl-thieno[2,3-b]quinoline-2-carb...)
Show SMILES Cc1cc(C)c2cc3c(N)c(sc3nc2c1)C(=O)Nc1c(C)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C19H17N5O3S/c1-7-4-8(2)10-6-11-13(20)15(28-18(11)22-12(10)5-7)17(26)23-14-9(3)21-19(27)24-16(14)25/h4-6H,20H2,1-3H3,(H,23,26)(H2,21,24,25,27)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88921
PNG
(5-benzoyl-6-methyl-4-(4-morpholin-4-ylphenyl)-3,4-...)
Show SMILES CC1=NC(=O)NC(C1C(=O)c1ccccc1)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C22H23N3O3/c1-15-19(21(26)17-5-3-2-4-6-17)20(24-22(27)23-15)16-7-9-18(10-8-16)25-11-13-28-14-12-25/h2-10,19-20H,11-14H2,1H3,(H,24,27)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50688
PNG
(3-[5-[(E)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-9-10-20(31-17)15-7-4-8-16(11-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-5-2-1-3-6-14/h1-13,25H,(H,29,30)/b18-12+,25-21?
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n/an/a 1.58E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM78566
PNG
(2-(1-benzylindol-3-yl)-7-methyl-1,2,3,5,6,8-hexahy...)
Show SMILES CN1CCc2c(C1)sc1NC(NC(=O)c21)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H24N4OS/c1-28-12-11-18-21(15-28)31-25-22(18)24(30)26-23(27-25)19-14-29(13-16-7-3-2-4-8-16)20-10-6-5-9-17(19)20/h2-10,14,23,27H,11-13,15H2,1H3,(H,26,30)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM51089
PNG
((E)-3-[(3Z)-3-(4-chlorobenzylidene)-2-morpholino-c...)
Show SMILES Fc1ccccc1NC(=O)C(=C\C1=C(N2CCOCC2)\C(\CC1)=C/c1ccc(Cl)cc1)\C#N
Show InChI InChI=1S/C26H23ClFN3O2/c27-22-9-5-18(6-10-22)15-19-7-8-20(25(19)31-11-13-33-14-12-31)16-21(17-29)26(32)30-24-4-2-1-3-23(24)28/h1-6,9-10,15-16H,7-8,11-14H2,(H,30,32)/b19-15-,21-16+
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n/an/a 1.70E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88992
PNG
(2-[(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,...)
Show SMILES CC(SCc1nc2sc3CCCCc3c2c(=O)[nH]1)C(=O)Nc1ccc(C)cn1
Show InChI InChI=1S/C20H22N4O2S2/c1-11-7-8-15(21-9-11)22-18(25)12(2)27-10-16-23-19(26)17-13-5-3-4-6-14(13)28-20(17)24-16/h7-9,12H,3-6,10H2,1-2H3,(H,21,22,25)(H,23,24,26)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM51678
PNG
(MLS000565982 | N'-[(Z)-(4-chloranyl-2-phenylimino-...)
Show SMILES CCOc1ccccc1OCC(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl
Show InChI InChI=1S/C20H19ClN4O3S/c1-2-27-15-10-6-7-11-16(15)28-13-18(26)25-22-12-17-19(21)24-20(29-17)23-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,23,24)(H,25,26)
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n/an/a 1.75E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM89042
PNG
(2-tert-butyl-6-chloranyl-3-[(4-methoxy-2-methyl-ph...)
Show SMILES COc1ccc(Cc2c(nc3ccc(Cl)cn23)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C20H23ClN2O/c1-13-10-16(24-5)8-6-14(13)11-17-19(20(2,3)4)22-18-9-7-15(21)12-23(17)18/h6-10,12H,11H2,1-5H3
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n/an/a 1.77E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM45030
PNG
((5Z)-2-sulfanylidene-5-[(1,2,5-trimethyl-3-pyrroly...)
Show SMILES Cc1cc(C=C2SC(S)=NC2=O)c(C)n1C
Show InChI InChI=1S/C11H12N2OS2/c1-6-4-8(7(2)13(6)3)5-9-10(14)12-11(15)16-9/h4-5H,1-3H3,(H,12,14,15)
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n/an/a 1.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM89010
PNG
(MLS002156273 | N-[4-(1,3-benzothiazol-2-yl)phenyl]...)
Show SMILES O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C23H22N4O3S/c28-19(11-14-27-21(29)23(26-22(27)30)12-3-4-13-23)24-16-9-7-15(8-10-16)20-25-17-5-1-2-6-18(17)31-20/h1-2,5-10H,3-4,11-14H2,(H,24,28)(H,26,30)
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n/an/a 1.95E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%