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Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'adams' and Initial = 'jj'   
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 X/antithrombin III


(Homo sapiens (human))
BDBM50079259
PNG
(3-(3-Carbamimidoyl-phenyl)-4,5-dihydro-isoxazole-5...)
Show SMILES NC(=N)c1cccc(c1)C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H21N5O4S/c24-22(25)16-5-3-4-15(12-16)19-13-20(32-28-19)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-21(18)33(26,30)31/h1-12,20H,13H2,(H3,24,25)(H,27,29)(H2,26,30,31)
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7.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127915
PNG
(3-(3-Amino-4-chloro-phenyl)-4,5-dihydro-isoxazole-...)
Show SMILES Nc1cc(ccc1Cl)C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C22H19ClN4O4S/c23-17-10-7-14(11-18(17)24)19-12-20(31-27-19)22(28)26-15-8-5-13(6-9-15)16-3-1-2-4-21(16)32(25,29)30/h1-11,20H,12,24H2,(H,26,28)(H2,25,29,30)
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130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Coagulation factor X


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127905
PNG
(3-Benzo[1,3]dioxol-5-yl-4,5-dihydro-isoxazole-5-ca...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H19N3O6S/c24-33(28,29)22-4-2-1-3-17(22)14-5-8-16(9-6-14)25-23(27)21-12-18(26-32-21)15-7-10-19-20(11-15)31-13-30-19/h1-11,21H,12-13H2,(H,25,27)(H2,24,28,29)
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490n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127910
PNG
(3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5-carbo...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H21N3O5S/c1-30-18-12-8-16(9-13-18)20-14-21(31-26-20)23(27)25-17-10-6-15(7-11-17)19-4-2-3-5-22(19)32(24,28)29/h2-13,21H,14H2,1H3,(H,25,27)(H2,24,28,29)
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700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127879
PNG
(3-(4-Chloro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H18ClN3O4S/c23-16-9-5-15(6-10-16)19-13-20(30-26-19)22(27)25-17-11-7-14(8-12-17)18-3-1-2-4-21(18)31(24,28)29/h1-12,20H,13H2,(H,25,27)(H2,24,28,29)
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1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against the coagulation factor X


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127903
PNG
(3-Biphenyl-4-yl-4,5-dihydro-isoxazole-5-carboxylic...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H23N3O4S/c29-36(33,34)27-9-5-4-8-24(27)21-14-16-23(17-15-21)30-28(32)26-18-25(31-35-26)22-12-10-20(11-13-22)19-6-2-1-3-7-19/h1-17,26H,18H2,(H,30,32)(H2,29,33,34)
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1.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127891
PNG
(3-Thiophen-2-yl-4,5-dihydro-isoxazole-5-carboxylic...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2cccs2)cc1
Show InChI InChI=1S/C20H17N3O4S2/c21-29(25,26)19-6-2-1-4-15(19)13-7-9-14(10-8-13)22-20(24)17-12-16(23-27-17)18-5-3-11-28-18/h1-11,17H,12H2,(H,22,24)(H2,21,25,26)
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1.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127907
PNG
(3-(4-Difluoromethyl-phenyl)-4,5-dihydro-isoxazole-...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc(cc2)C(F)F)cc1
Show InChI InChI=1S/C23H19F2N3O4S/c24-22(25)16-7-5-15(6-8-16)19-13-20(32-28-19)23(29)27-17-11-9-14(10-12-17)18-3-1-2-4-21(18)33(26,30)31/h1-12,20,22H,13H2,(H,27,29)(H2,26,30,31)
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1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127898
PNG
(3-(2,4-Dichloro-phenyl)-4,5-dihydro-isoxazole-5-ca...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C22H17Cl2N3O4S/c23-14-7-10-17(18(24)11-14)19-12-20(31-27-19)22(28)26-15-8-5-13(6-9-15)16-3-1-2-4-21(16)32(25,29)30/h1-11,20H,12H2,(H,26,28)(H2,25,29,30)
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1.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127900
PNG
(3-(4-Chloro-benzo[1,3]dioxol-5-yl)-4,5-dihydro-iso...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc3OCOc3c2Cl)cc1
Show InChI InChI=1S/C23H18ClN3O6S/c24-21-16(9-10-18-22(21)32-12-31-18)17-11-19(33-27-17)23(28)26-14-7-5-13(6-8-14)15-3-1-2-4-20(15)34(25,29)30/h1-10,19H,11-12H2,(H,26,28)(H2,25,29,30)
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1.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127883
PNG
(3-(2-Chloro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccccc2Cl)cc1
Show InChI InChI=1S/C22H18ClN3O4S/c23-18-7-3-1-6-17(18)19-13-20(30-26-19)22(27)25-15-11-9-14(10-12-15)16-5-2-4-8-21(16)31(24,28)29/h1-12,20H,13H2,(H,25,27)(H2,24,28,29)
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1.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127884
PNG
(3-(2-Hexyloxy-phenyl)-4,5-dihydro-isoxazole-5-carb...)
Show SMILES CCCCCCOc1ccccc1C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H31N3O5S/c1-2-3-4-9-18-35-25-12-7-5-11-23(25)24-19-26(36-31-24)28(32)30-21-16-14-20(15-17-21)22-10-6-8-13-27(22)37(29,33)34/h5-8,10-17,26H,2-4,9,18-19H2,1H3,(H,30,32)(H2,29,33,34)
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1.80E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127887
PNG
(3-(4-Iodo-phenyl)-4,5-dihydro-isoxazole-5-carboxyl...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc(I)cc2)cc1
Show InChI InChI=1S/C22H18IN3O4S/c23-16-9-5-15(6-10-16)19-13-20(30-26-19)22(27)25-17-11-7-14(8-12-17)18-3-1-2-4-21(18)31(24,28)29/h1-12,20H,13H2,(H,25,27)(H2,24,28,29)
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1.90E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against the coagulation factor X


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127890
PNG
(3-p-Tolyl-4,5-dihydro-isoxazole-5-carboxylic acid ...)
Show SMILES Cc1ccc(cc1)C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H21N3O4S/c1-15-6-8-17(9-7-15)20-14-21(30-26-20)23(27)25-18-12-10-16(11-13-18)19-4-2-3-5-22(19)31(24,28)29/h2-13,21H,14H2,1H3,(H,25,27)(H2,24,28,29)
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2.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127880
PNG
(3-(2-Furan-2-yl-vinyl)-4,5-dihydro-isoxazole-5-car...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(\C=C\c3ccco3)=NO2)cc1
Show InChI InChI=1S/C22H19N3O5S/c23-31(27,28)21-6-2-1-5-19(21)15-7-9-16(10-8-15)24-22(26)20-14-17(25-30-20)11-12-18-4-3-13-29-18/h1-13,20H,14H2,(H,24,26)(H2,23,27,28)/b12-11+
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2.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127888
PNG
(3-Styryl-4,5-dihydro-isoxazole-5-carboxylic acid (...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(\C=C\c3ccccc3)=NO2)cc1
Show InChI InChI=1S/C24H21N3O4S/c25-32(29,30)23-9-5-4-8-21(23)18-11-14-19(15-12-18)26-24(28)22-16-20(27-31-22)13-10-17-6-2-1-3-7-17/h1-15,22H,16H2,(H,26,28)(H2,25,29,30)/b13-10+
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2.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127895
PNG
(3-(4-Nitro-benzo[1,3]dioxol-5-yl)-4,5-dihydro-isox...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2C[C+]([N-]O2)c2ccc3OCOc3c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H18N4O8S/c24-36(31,32)20-4-2-1-3-15(20)13-5-7-14(8-6-13)25-23(28)19-11-17(26-35-19)16-9-10-18-22(34-12-33-18)21(16)27(29)30/h1-10,19H,11-12H2,(H,25,28)(H2,24,31,32)
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2.40E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127909
PNG
(3-(4-Chloro-3-fluoro-phenyl)-4,5-dihydro-isoxazole...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc(Cl)c(F)c2)cc1
Show InChI InChI=1S/C22H17ClFN3O4S/c23-17-10-7-14(11-18(17)24)19-12-20(31-27-19)22(28)26-15-8-5-13(6-9-15)16-3-1-2-4-21(16)32(25,29)30/h1-11,20H,12H2,(H,26,28)(H2,25,29,30)
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2.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127901
PNG
(3-(3,4-Dichloro-phenyl)-4,5-dihydro-isoxazole-5-ca...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C22H17Cl2N3O4S/c23-17-10-7-14(11-18(17)24)19-12-20(31-27-19)22(28)26-15-8-5-13(6-9-15)16-3-1-2-4-21(16)32(25,29)30/h1-11,20H,12H2,(H,26,28)(H2,25,29,30)
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2.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127899
PNG
(3-(2-Methoxy-naphthalen-1-yl)-4,5-dihydro-isoxazol...)
Show SMILES COc1ccc2ccccc2c1C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C27H23N3O5S/c1-34-23-15-12-17-6-2-3-8-21(17)26(23)22-16-24(35-30-22)27(31)29-19-13-10-18(11-14-19)20-7-4-5-9-25(20)36(28,32)33/h2-15,24H,16H2,1H3,(H,29,31)(H2,28,32,33)
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>3.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127876
PNG
(3-(3-Hydroxy-phenyl)-4,5-dihydro-isoxazole-5-carbo...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2cccc(O)c2)cc1
Show InChI InChI=1S/C22H19N3O5S/c23-31(28,29)21-7-2-1-6-18(21)14-8-10-16(11-9-14)24-22(27)20-13-19(25-30-20)15-4-3-5-17(26)12-15/h1-12,20,26H,13H2,(H,24,27)(H2,23,28,29)
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>3.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127916
PNG
(3-(4-Bromo-phenyl)-4,5-dihydro-isoxazole-5-carboxy...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H18BrN3O4S/c23-16-9-5-15(6-10-16)19-13-20(30-26-19)22(27)25-17-11-7-14(8-12-17)18-3-1-2-4-21(18)31(24,28)29/h1-12,20H,13H2,(H,25,27)(H2,24,28,29)
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4.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against the coagulation factor X


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127913
PNG
(3-Pentyl-4,5-dihydro-isoxazole-5-carboxylic acid (...)
Show SMILES CCCCCC1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H25N3O4S/c1-2-3-4-7-17-14-19(28-24-17)21(25)23-16-12-10-15(11-13-16)18-8-5-6-9-20(18)29(22,26)27/h5-6,8-13,19H,2-4,7,14H2,1H3,(H,23,25)(H2,22,26,27)
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4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against the coagulation factor X


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127908
PNG
(3-(3,4-Difluoro-phenyl)-4,5-dihydro-isoxazole-5-ca...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C22H17F2N3O4S/c23-17-10-7-14(11-18(17)24)19-12-20(31-27-19)22(28)26-15-8-5-13(6-9-15)16-3-1-2-4-21(16)32(25,29)30/h1-11,20H,12H2,(H,26,28)(H2,25,29,30)
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4.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against the coagulation factor X


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127912
PNG
(3-(3-Chloro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C22H18ClN3O4S/c23-16-5-3-4-15(12-16)19-13-20(30-26-19)22(27)25-17-10-8-14(9-11-17)18-6-1-2-7-21(18)31(24,28)29/h1-12,20H,13H2,(H,25,27)(H2,24,28,29)
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5.90E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against the coagulation factor X


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127904
PNG
(3-(3-Methoxy-phenyl)-4,5-dihydro-isoxazole-5-carbo...)
Show SMILES COc1cccc(c1)C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H21N3O5S/c1-30-18-6-4-5-16(13-18)20-14-21(31-26-20)23(27)25-17-11-9-15(10-12-17)19-7-2-3-8-22(19)32(24,28)29/h2-13,21H,14H2,1H3,(H,25,27)(H2,24,28,29)
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7.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against the coagulation factor X


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127871
PNG
(3-(3-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2cccc(F)c2)cc1
Show InChI InChI=1S/C22H18FN3O4S/c23-16-5-3-4-15(12-16)19-13-20(30-26-19)22(27)25-17-10-8-14(9-11-17)18-6-1-2-7-21(18)31(24,28)29/h1-12,20H,13H2,(H,25,27)(H2,24,28,29)
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7.80E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against the coagulation factor X


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127894
PNG
(3-(3-Iodo-phenyl)-4,5-dihydro-isoxazole-5-carboxyl...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2cccc(I)c2)cc1
Show InChI InChI=1S/C22H18IN3O4S/c23-16-5-3-4-15(12-16)19-13-20(30-26-19)22(27)25-17-10-8-14(9-11-17)18-6-1-2-7-21(18)31(24,28)29/h1-12,20H,13H2,(H,25,27)(H2,24,28,29)
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1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127878
PNG
(3-Phenyl-4,5-dihydro-isoxazole-5-carboxylic acid (...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccccc2)cc1
Show InChI InChI=1S/C22H19N3O4S/c23-30(27,28)21-9-5-4-8-18(21)15-10-12-17(13-11-15)24-22(26)20-14-19(25-29-20)16-6-2-1-3-7-16/h1-13,20H,14H2,(H,24,26)(H2,23,27,28)
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1.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127892
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4,5-dihydro-...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H21N3O6S/c25-34(29,30)23-4-2-1-3-18(23)15-5-8-17(9-6-15)26-24(28)22-14-19(27-33-22)16-7-10-20-21(13-16)32-12-11-31-20/h1-10,13,22H,11-12,14H2,(H,26,28)(H2,25,29,30)
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1.32E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127877
PNG
(3-{3-[2-(2-Chloro-ethoxy)-ethoxy]-phenyl}-4,5-dihy...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2cccc(OCCOCCCl)c2)cc1
Show InChI InChI=1S/C26H26ClN3O6S/c27-12-13-34-14-15-35-21-5-3-4-19(16-21)23-17-24(36-30-23)26(31)29-20-10-8-18(9-11-20)22-6-1-2-7-25(22)37(28,32)33/h1-11,16,24H,12-15,17H2,(H,29,31)(H2,28,32,33)
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1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127889
PNG
(3-Decyl-4,5-dihydro-isoxazole-5-carboxylic acid (2...)
Show SMILES CCCCCCCCCCC1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C26H35N3O4S/c1-2-3-4-5-6-7-8-9-12-22-19-24(33-29-22)26(30)28-21-17-15-20(16-18-21)23-13-10-11-14-25(23)34(27,31)32/h10-11,13-18,24H,2-9,12,19H2,1H3,(H,28,30)(H2,27,31,32)
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1.70E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127906
PNG
(3-(3-Trifluoromethyl-phenyl)-4,5-dihydro-isoxazole...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H18F3N3O4S/c24-23(25,26)16-5-3-4-15(12-16)19-13-20(33-29-19)22(30)28-17-10-8-14(9-11-17)18-6-1-2-7-21(18)34(27,31)32/h1-12,20H,13H2,(H,28,30)(H2,27,31,32)
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1.70E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127911
PNG
(3-Naphthalen-2-yl-4,5-dihydro-isoxazole-5-carboxyl...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C26H21N3O4S/c27-34(31,32)25-8-4-3-7-22(25)18-11-13-21(14-12-18)28-26(30)24-16-23(29-33-24)20-10-9-17-5-1-2-6-19(17)15-20/h1-15,24H,16H2,(H,28,30)(H2,27,31,32)
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2.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127873
PNG
(3-(4-Hydroxy-3-methoxy-phenyl)-4,5-dihydro-isoxazo...)
Show SMILES COc1cc(ccc1O)C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H21N3O6S/c1-31-20-12-15(8-11-19(20)27)18-13-21(32-26-18)23(28)25-16-9-6-14(7-10-16)17-4-2-3-5-22(17)33(24,29)30/h2-12,21,27H,13H2,1H3,(H,25,28)(H2,24,29,30)
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2.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127902
PNG
(3-(4-Hydroxy-phenyl)-4,5-dihydro-isoxazole-5-carbo...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C22H19N3O5S/c23-31(28,29)21-4-2-1-3-18(21)14-5-9-16(10-6-14)24-22(27)20-13-19(25-30-20)15-7-11-17(26)12-8-15/h1-12,20,26H,13H2,(H,24,27)(H2,23,28,29)
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2.20E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127897
PNG
(3-((E)-1-Phenyl-but-1-enyl)-4,5-dihydro-isoxazole-...)
Show SMILES CC\C=C(\C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C26H25N3O4S/c1-2-8-21(18-9-4-3-5-10-18)23-17-24(33-29-23)26(30)28-20-15-13-19(14-16-20)22-11-6-7-12-25(22)34(27,31)32/h3-16,24H,2,17H2,1H3,(H,28,30)(H2,27,31,32)/b21-8+
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2.40E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127893
PNG
(3-(2,4,5-Trimethyl-phenyl)-4,5-dihydro-isoxazole-5...)
Show SMILES Cc1cc(C)c(cc1C)C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C25H25N3O4S/c1-15-12-17(3)21(13-16(15)2)22-14-23(32-28-22)25(29)27-19-10-8-18(9-11-19)20-6-4-5-7-24(20)33(26,30)31/h4-13,23H,14H2,1-3H3,(H,27,29)(H2,26,30,31)
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2.60E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127870
PNG
(3-Phenethyl-4,5-dihydro-isoxazole-5-carboxylic aci...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(CCc3ccccc3)=NO2)cc1
Show InChI InChI=1S/C24H23N3O4S/c25-32(29,30)23-9-5-4-8-21(23)18-11-14-19(15-12-18)26-24(28)22-16-20(27-31-22)13-10-17-6-2-1-3-7-17/h1-9,11-12,14-15,22H,10,13,16H2,(H,26,28)(H2,25,29,30)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127872
PNG
(3-((1R,2R,3S,5S)-6-Methoxy-2,2-dimethyl-tetrahydro...)
Show SMILES CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H27N3O8S/c1-24(2)33-21-20(31-3)19(32-23(21)34-24)16-12-17(35-27-16)22(28)26-14-10-8-13(9-11-14)15-6-4-5-7-18(15)36(25,29)30/h4-11,17,19-21,23H,12H2,1-3H3,(H,26,28)(H2,25,29,30)/t17?,19-,20-,21+,23+/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127875
PNG
(3-(3-Bromo-phenyl)-4,5-dihydro-isoxazole-5-carboxy...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2cccc(Br)c2)cc1
Show InChI InChI=1S/C22H18BrN3O4S/c23-16-5-3-4-15(12-16)19-13-20(30-26-19)22(27)25-17-10-8-14(9-11-17)18-6-1-2-7-21(18)31(24,28)29/h1-12,20H,13H2,(H,25,27)(H2,24,28,29)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127874
PNG
(3-(2-Hydroxy-naphthalen-1-yl)-4,5-dihydro-isoxazol...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2c(O)ccc3ccccc23)cc1
Show InChI InChI=1S/C26H21N3O5S/c27-35(32,33)24-8-4-3-6-19(24)17-9-12-18(13-10-17)28-26(31)23-15-21(29-34-23)25-20-7-2-1-5-16(20)11-14-22(25)30/h1-14,23,30H,15H2,(H,28,31)(H2,27,32,33)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127881
PNG
(3-(4-Hydroxy-3,5-diiodo-phenyl)-4,5-dihydro-isoxaz...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2cc(I)c(O)c(I)c2)cc1
Show InChI InChI=1S/C22H17I2N3O5S/c23-16-9-13(10-17(24)21(16)28)18-11-19(32-27-18)22(29)26-14-7-5-12(6-8-14)15-3-1-2-4-20(15)33(25,30)31/h1-10,19,28H,11H2,(H,26,29)(H2,25,30,31)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127885
PNG
(3-Naphthalen-1-yl-4,5-dihydro-isoxazole-5-carboxyl...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C26H21N3O4S/c27-34(31,32)25-11-4-3-9-21(25)18-12-14-19(15-13-18)28-26(30)24-16-23(29-33-24)22-10-5-7-17-6-1-2-8-20(17)22/h1-15,24H,16H2,(H,28,30)(H2,27,31,32)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127886
PNG
(3-(4-Chloro-3-nitro-phenyl)-4,5-dihydro-isoxazole-...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2C[C+]([N-]O2)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H17ClN4O6S/c23-17-10-7-14(11-19(17)27(29)30)18-12-20(33-26-18)22(28)25-15-8-5-13(6-9-15)16-3-1-2-4-21(16)34(24,31)32/h1-11,20H,12H2,(H,25,28)(H2,24,31,32)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127896
PNG
(3-(5-Bromo-2-methoxy-phenyl)-4,5-dihydro-isoxazole...)
Show SMILES COc1ccc(Br)cc1C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H20BrN3O5S/c1-31-20-11-8-15(24)12-18(20)19-13-21(32-27-19)23(28)26-16-9-6-14(7-10-16)17-4-2-3-5-22(17)33(25,29)30/h2-12,21H,13H2,1H3,(H,26,28)(H2,25,29,30)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127914
PNG
(3-[5-(2'-Sulfamoyl-biphenyl-4-ylcarbamoyl)-4,5-dih...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CC(=NO2)c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C23H19N3O6S/c24-33(30,31)21-7-2-1-6-18(21)14-8-10-17(11-9-14)25-22(27)20-13-19(26-32-20)15-4-3-5-16(12-15)23(28)29/h1-12,20H,13H2,(H,25,27)(H,28,29)(H2,24,30,31)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity against the Factor Xa (FXa)


Bioorg Med Chem Lett 13: 1795-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00130-6
BindingDB Entry DOI: 10.7270/Q2N29WBV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185432
PNG
(CHEMBL3824092)
Show SMILES Cn1cnc2ccc(cc12)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-11-26-19-3-2-13(8-21(19)28)14-6-17(23)16(18(24)7-14)10-29-12-27-20-9-25-5-4-15(20)22(29)30/h2-9,11-12H,10H2,1H3
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n/an/an/an/a 5.25E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185431
PNG
(CHEMBL3823781)
Show SMILES Fc1cc(cc(F)c1Cn1cnc2cnccc2c1=O)-c1ccc2cnccc2c1
Show InChI InChI=1S/C23H14F2N4O/c24-20-8-17(14-1-2-16-10-26-5-3-15(16)7-14)9-21(25)19(20)12-29-13-28-22-11-27-6-4-18(22)23(29)30/h1-11,13H,12H2
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n/an/an/an/a 6.17E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185423
PNG
(CHEMBL3823885)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-10-16-14(3-2-4-20(16)27-28)13-7-18(23)17(19(24)8-13)11-29-12-26-21-9-25-6-5-15(21)22(29)30/h2-10,12H,11H2,1H3
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n/an/an/an/a 5.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
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