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PubChem AID 846

Compile Data Set for Download or QSAR

Found 302 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
Coagulation factor XI


(Homo sapiens (Human))		BDBM32881
PNG
(MLS000706208 | SMR000288260 | [3-(2-furanyl)-5-(me...)
Show SMILES COc1ccccc1C(=O)n1nc(nc1SC)-c1ccco1
Show InChI InChI=1S/C15H13N3O3S/c1-20-11-7-4-3-6-10(11)14(19)18-15(22-2)16-13(17-18)12-8-5-9-21-12/h3-9H,1-2H3
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n/an/a 34.2n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32909
PNG
((4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-ca...)
Show SMILES Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
Show InChI InChI=1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3
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n/an/a 49.7n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32896
PNG
(MLS000679754 | N-(2-butyl-1,2,3,4-tetrazol-5-yl)-N...)
Show SMILES CCCCn1nnc(n1)N(C(=O)c1cccs1)C(=O)c1cccs1
Show InChI InChI=1S/C15H15N5O2S2/c1-2-3-8-19-17-15(16-18-19)20(13(21)11-6-4-9-23-11)14(22)12-7-5-10-24-12/h4-7,9-10H,2-3,8H2,1H3
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n/an/a 112n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32945
PNG
((4-methyl-5-thioxo-1,2,4-triazol-1-yl)-(p-tolyl)me...)
Show SMILES Cc1ccc(cc1)C(=O)n1ncn(C)c1=S
Show InChI InChI=1S/C11H11N3OS/c1-8-3-5-9(6-4-8)10(15)14-11(16)13(2)7-12-14/h3-7H,1-2H3
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n/an/a 122n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32868
PNG
((5-amino-1-methylsulfonylpyrazol-3-yl) thiophene-2...)
Show SMILES CS(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C9H9N3O4S2/c1-18(14,15)12-7(10)5-8(11-12)16-9(13)6-3-2-4-17-6/h2-5H,10H2,1H3
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n/an/a 152n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32672
PNG
(MLS000097371 | N-[4-(1H-1,2,3-benzotriazol-1-ylcar...)
Show SMILES CCCC(=O)Nc1ccc(cc1)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C17H16N4O2/c1-2-5-16(22)18-13-10-8-12(9-11-13)17(23)21-15-7-4-3-6-14(15)19-20-21/h3-4,6-11H,2,5H2,1H3,(H,18,22)
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n/an/a 248n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32801
PNG
(1,3-benzodioxol-5-yl(1-benzotriazolyl)methanone | ...)
Show SMILES O=C(c1ccc2OCOc2c1)n1nnc2ccccc12
Show InChI InChI=1S/C14H9N3O3/c18-14(9-5-6-12-13(7-9)20-8-19-12)17-11-4-2-1-3-10(11)15-16-17/h1-7H,8H2
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n/an/a 320n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32773
PNG
(MLS000057551 | N-[4-(5-chloranylthiophen-2-yl)-1,3...)
Show SMILES Clc1ccc(s1)-c1csc(NC(=O)c2cccs2)n1
Show InChI InChI=1S/C12H7ClN2OS3/c13-10-4-3-8(19-10)7-6-18-12(14-7)15-11(16)9-2-1-5-17-9/h1-6H,(H,14,15,16)
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n/an/a 364n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32813
PNG
(2-(2-chlorophenyl)-4-thieno[3,2-d][1,3]oxazinone |...)
Show SMILES Clc1ccccc1-c1nc2ccsc2c(=O)o1
Show InChI InChI=1S/C12H6ClNO2S/c13-8-4-2-1-3-7(8)11-14-9-5-6-17-10(9)12(15)16-11/h1-6H
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n/an/a 440n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32665
PNG
(2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
Show InChI InChI=1S/C15H13N3O5S/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-22-12/h2-9H,16H2,1H3
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n/an/a 450n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32806
PNG
(1-benzotriazolyl-(3,4-dimethoxyphenyl)methanone | ...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C15H13N3O3/c1-20-13-8-7-10(9-14(13)21-2)15(19)18-12-6-4-3-5-11(12)16-17-18/h3-9H,1-2H3
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n/an/a 474n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32934
PNG
(MLS000419584 | N-([1,3]dioxolo[4,5-f][1,3]benzothi...)
Show SMILES O=C(Nc1nc2cc3OCOc3cc2s1)c1ccco1
Show InChI InChI=1S/C13H8N2O4S/c16-12(8-2-1-3-17-8)15-13-14-7-4-9-10(19-6-18-9)5-11(7)20-13/h1-5H,6H2,(H,14,15,16)
PDB
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n/an/a 518n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32796
PNG
(MLS000115326 | SMR000092470 | [3-(2-furanyl)-5-(me...)
Show SMILES CSc1nc(nn1C(=O)c1ccc(C)cc1)-c1ccco1
Show InChI InChI=1S/C15H13N3O2S/c1-10-5-7-11(8-6-10)14(19)18-15(21-2)16-13(17-18)12-4-3-9-20-12/h3-9H,1-2H3
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n/an/a 531n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32805
PNG
((5-chloranylpyridin-3-yl) furan-2-carboxylate | (5...)
Show SMILES Clc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
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n/an/a 741n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32854
PNG
((1,3-dioxoisoindol-2-yl) 2,5-dimethylbenzenesulfon...)
Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO5S/c1-10-7-8-11(2)14(9-10)23(20,21)22-17-15(18)12-5-3-4-6-13(12)16(17)19/h3-9H,1-2H3
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n/an/a 762n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32758
PNG
(1,3-Bis-(furan-2-carbonyl)-5-methyl-2-oxo-2,3-dihy...)
Show SMILES CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1
Show InChI InChI=1S/C17H14N2O7/c1-3-24-16(22)13-10(2)18(14(20)11-6-4-8-25-11)17(23)19(13)15(21)12-7-5-9-26-12/h4-9H,3H2,1-2H3
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n/an/a 788n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32977
PNG
(1,3-Bis-(4-ethoxy-phenyl)-2-methyl-6,7,8,9-tetrahy...)
Show SMILES CCOc1ccc(cc1)-c1c(C)n(c2CCCCC[n+]12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C25H31N2O2/c1-4-28-22-14-10-20(11-15-22)25-19(3)27(24-9-7-6-8-18-26(24)25)21-12-16-23(17-13-21)29-5-2/h10-17H,4-9,18H2,1-3H3/q+1
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n/an/a 958n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32778
PNG
(MLS000081703 | SMR000062919 | [2-(2-cyanoethyl)-5-...)
Show SMILES Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
Show InChI InChI=1S/C14H13N3O2/c1-11-10-13(17(16-11)9-5-8-15)19-14(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3
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n/an/a 1.00E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32851
PNG
((1,3-dioxoisoindol-2-yl) 2,4,5-trimethylbenzenesul...)
Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H15NO5S/c1-10-8-12(3)15(9-11(10)2)24(21,22)23-18-16(19)13-6-4-5-7-14(13)17(18)20/h4-9H,1-3H3
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n/an/a 1.01E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32820
PNG
(1-benzotriazolyl-[4-(dimethylamino)phenyl]methanon...)
Show SMILES CN(C)c1ccc(cc1)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C15H14N4O/c1-18(2)12-9-7-11(8-10-12)15(20)19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3
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n/an/a 1.02E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32825
PNG
(4-Methyl-benzoic acid 2-furan-2-yl-4-[(E)-phenylim...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1
Show InChI InChI=1S/C22H16N2O4/c1-15-9-11-16(12-10-15)21(25)28-22-18(14-23-17-6-3-2-4-7-17)24-20(27-22)19-8-5-13-26-19/h2-14H,1H3/b23-14+
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n/an/a 1.03E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32853
PNG
((1,3-dioxoisoindol-2-yl) 2,4-dimethylbenzenesulfon...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO5S/c1-10-7-8-14(11(2)9-10)23(20,21)22-17-15(18)12-5-3-4-6-13(12)16(17)19/h3-9H,1-2H3
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n/an/a 1.08E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32788
PNG
(1-phenyl-5-(2-thenoyloxy)pyrazole-3-carboxylic aci...)
Show SMILES CCOC(=O)c1cc(OC(=O)c2cccs2)n(n1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O4S/c1-2-22-16(20)13-11-15(23-17(21)14-9-6-10-24-14)19(18-13)12-7-4-3-5-8-12/h3-11H,2H2,1H3
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n/an/a 1.09E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32857
PNG
((1,3-dioxoisoindol-2-yl) benzenesulfonate | Benzen...)
Show SMILES O=C1N(OS(=O)(=O)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C14H9NO5S/c16-13-11-8-4-5-9-12(11)14(17)15(13)20-21(18,19)10-6-2-1-3-7-10/h1-9H
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n/an/a 1.40E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32920
PNG
(4-methoxybenzoic acid [(7,7-diketo-5,6-dihydrothie...)
Show SMILES COc1ccc(cc1)C(=O)ON=C1CCS(=O)(=O)c2sccc12 |w:11.11|
Show InChI InChI=1S/C15H13NO5S2/c1-20-11-4-2-10(3-5-11)14(17)21-16-13-7-9-23(18,19)15-12(13)6-8-22-15/h2-6,8H,7,9H2,1H3
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n/an/a 1.42E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32803
PNG
((2-acetyl-1-benzothiophen-3-yl) furan-2-carboxylat...)
Show SMILES CC(=O)c1sc2ccccc2c1OC(=O)c1ccco1
Show InChI InChI=1S/C15H10O4S/c1-9(16)14-13(10-5-2-3-7-12(10)20-14)19-15(17)11-6-4-8-18-11/h2-8H,1H3
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n/an/a 1.50E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32787
PNG
(1-[2-(ethylthio)benzoyl]-1H-1,2,3-benzotriazole | ...)
Show SMILES CCSc1ccccc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C15H13N3OS/c1-2-20-14-10-6-3-7-11(14)15(19)18-13-9-5-4-8-12(13)16-17-18/h3-10H,2H2,1H3
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n/an/a 1.50E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32856
PNG
((2-oxidanylidene-4-phenyl-chromen-7-yl) thiophene-...)
Show SMILES O=C(Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C20H12O4S/c21-19-12-16(13-5-2-1-3-6-13)15-9-8-14(11-17(15)24-19)23-20(22)18-7-4-10-25-18/h1-12H
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n/an/a 1.55E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32794
PNG
(1-benzoyl-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-in...)
Show SMILES Cc1nn(C(=O)c2ccccc2)c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C17H18N2O2/c1-11-15-13(9-17(2,3)10-14(15)20)19(18-11)16(21)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
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n/an/a 1.59E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM33000
PNG
(3H-Benzoimidazole-5-carboxylic acid [1-(2-nitro-ph...)
Show SMILES [O-][N+](=O)c1ccccc1C=NNC(=O)c1ccc2nc[nH]c2c1 |w:10.11|
Show InChI InChI=1S/C15H11N5O3/c21-15(10-5-6-12-13(7-10)17-9-16-12)19-18-8-11-3-1-2-4-14(11)20(22)23/h1-9H,(H,16,17)(H,19,21)
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n/an/a 1.60E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32669
PNG
((3,4-dimethoxyphenyl)-[3-(2-furanyl)-5-(methylthio...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1SC)-c1ccco1
Show InChI InChI=1S/C16H15N3O4S/c1-21-11-7-6-10(9-13(11)22-2)15(20)19-16(24-3)17-14(18-19)12-5-4-8-23-12/h4-9H,1-3H3
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n/an/a 1.65E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32756
PNG
(2-furancarboxylic acid [5-amino-1-(4-fluorophenyl)...)
Show SMILES Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C14H10FN3O5S/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)23-14(19)11-2-1-7-22-11/h1-8H,16H2
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n/an/a 1.66E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32846
PNG
((6-oxidanylidene-1-phenyl-pyridazin-3-yl) 3-chlora...)
Show SMILES Clc1cccc(c1)C(=O)Oc1ccc(=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C17H11ClN2O3/c18-13-6-4-5-12(11-13)17(22)23-15-9-10-16(21)20(19-15)14-7-2-1-3-8-14/h1-11H
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n/an/a 1.71E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32824
PNG
((3-Amino-[1,2,4]triazol-4-yl)-(3,5-dimethoxy-pheny...)
Show SMILES COc1cc(OC)cc(c1)C(=O)n1cnnc1N
Show InChI InChI=1S/C11H12N4O3/c1-17-8-3-7(4-9(5-8)18-2)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14)
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n/an/a 1.73E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32852
PNG
((E)-1-(1-benzotriazolyl)-2-methyl-3-phenyl-2-prope...)
Show SMILES C\C(=C/c1ccccc1)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C16H13N3O/c1-12(11-13-7-3-2-4-8-13)16(20)19-15-10-6-5-9-14(15)17-18-19/h2-11H,1H3/b12-11+
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n/an/a 1.73E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32784
PNG
(2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...)
Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2
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n/an/a 1.78E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM33033
PNG
(4-oxo-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]qui...)
Show SMILES O=C(Oc1c(-c2ccccc2)c(=O)n2CCc3cccc1c23)c1ccco1
Show InChI InChI=1S/C22H15NO4/c24-21-18(14-6-2-1-3-7-14)20(27-22(25)17-10-5-13-26-17)16-9-4-8-15-11-12-23(21)19(15)16/h1-10,13H,11-12H2
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n/an/a 1.92E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32844
PNG
((6-oxidanylidene-1-phenyl-pyridazin-3-yl) benzoate...)
Show SMILES O=C(Oc1ccc(=O)n(n1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H12N2O3/c20-16-12-11-15(18-19(16)14-9-5-2-6-10-14)22-17(21)13-7-3-1-4-8-13/h1-12H
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n/an/a 1.97E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32671
PNG
(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Show SMILES CSc1nc(nn1C(=O)c1cccs1)-c1ccco1
Show InChI InChI=1S/C12H9N3O2S2/c1-18-12-13-10(8-4-2-6-17-8)14-15(12)11(16)9-5-3-7-19-9/h2-7H,1H3
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n/an/a 1.97E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32838
PNG
((1,2-dimethyl-6-oxidanylidene-pyridin-4-yl) 4-meth...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1cc(C)n(C)c(=O)c1
Show InChI InChI=1S/C15H15NO3/c1-10-4-6-12(7-5-10)15(18)19-13-8-11(2)16(3)14(17)9-13/h4-9H,1-3H3
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n/an/a 2.02E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32831
PNG
((5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-phe...)
Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c1-21-16-17-14(12-8-4-2-5-9-12)18-19(16)15(20)13-10-6-3-7-11-13/h2-11H,1H3
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n/an/a 2.04E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32761
PNG
(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
Show InChI InChI=1S/C15H13N3O6S/c1-22-10-4-6-11(7-5-10)25(20,21)18-13(16)9-14(17-18)24-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3
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n/an/a 2.18E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32836
PNG
(4-[(benzoyloxy)imino]-3,4-dihydro-1lambda~6~-thien...)
Show SMILES O=C(ON=C1CCS(=O)(=O)c2sccc12)c1ccccc1 |w:3.2|
Show InChI InChI=1S/C14H11NO4S2/c16-13(10-4-2-1-3-5-10)19-15-12-7-9-21(17,18)14-11(12)6-8-20-14/h1-6,8H,7,9H2
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n/an/a 2.21E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32791
PNG
(1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole | 1-benz...)
Show SMILES O=C(c1csc2ccccc12)n1cccn1
Show InChI InChI=1S/C12H8N2OS/c15-12(14-7-3-6-13-14)10-8-16-11-5-2-1-4-9(10)11/h1-8H
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n/an/a 2.21E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32835
PNG
((4-methylphenyl)-(2-methylsulfanyl-6,7-dihydro-[1,...)
Show SMILES CSc1nc2cc3OCCOc3cc2n1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H16N2O3S/c1-11-3-5-12(6-4-11)17(21)20-14-10-16-15(22-7-8-23-16)9-13(14)19-18(20)24-2/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 2.22E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32848
PNG
((5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-m...)
Show SMILES Cc1ccc(cc1)C(=O)OC1=CC(=O)CC(C)(C)C1 |t:11|
Show InChI InChI=1S/C16H18O3/c1-11-4-6-12(7-5-11)15(18)19-14-8-13(17)9-16(2,3)10-14/h4-8H,9-10H2,1-3H3
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n/an/a 2.29E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32918
PNG
(MLS000419233 | N-(4-fluoranyl-1,3-benzothiazol-2-y...)
Show SMILES Fc1cccc2sc(NC(=O)C3=COCCO3)nc12 |t:11|
Show InChI InChI=1S/C12H9FN2O3S/c13-7-2-1-3-9-10(7)14-12(19-9)15-11(16)8-6-17-4-5-18-8/h1-3,6H,4-5H2,(H,14,15,16)
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n/an/a 2.35E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32755
PNG
(2-thiophenecarboxylic acid [5-amino-1-(4-methylphe...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C15H13N3O4S2/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)22-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3
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CHEMBL
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.62E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32843
PNG
((6-oxidanylidene-1-phenyl-pyridazin-3-yl) 4-methox...)
Show SMILES COc1ccc(cc1)C(=O)Oc1ccc(=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C18H14N2O4/c1-23-15-9-7-13(8-10-15)18(22)24-16-11-12-17(21)20(19-16)14-5-3-2-4-6-14/h2-12H,1H3
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n/an/a 2.66E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM32862
PNG
((2-oxidanylidenechromen-7-yl) thiophene-2-carboxyl...)
Show SMILES O=C(Oc1ccc2ccc(=O)oc2c1)c1cccs1
Show InChI InChI=1S/C14H8O4S/c15-13-6-4-9-3-5-10(8-11(9)18-13)17-14(16)12-2-1-7-19-12/h1-8H
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n/an/a 2.68E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%