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Compile Data Set for Download or QSAR

Found 1150 hits with Last Name = 'hanney' and Initial = 'b'   
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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1n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of Rolipram binding to Phosphodiesterase 4


Bioorg Med Chem Lett 8: 2737-42 (1998)


Article DOI: 10.1016/s0960-894x(98)00497-1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50111966
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-benz...)
Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)ccc12
Show InChI InChI=1S/C21H18ClN5O3S2/c22-15-3-2-14-8-20(31-18(14)9-15)32(29,30)27-6-5-26(19(28)11-27)10-13-1-4-16-17(7-13)24-12-25-21(16)23/h1-4,7-9,12H,5-6,10-11H2,(H2,23,24,25)
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1n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12594
PNG
(4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...)
Show SMILES NC(=N)c1ccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1
Show InChI InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23)
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1n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12594
PNG
(4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...)
Show SMILES NC(=N)c1ccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1
Show InChI InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23)
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1.30n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50111958
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)
Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-2-4-15-17(8-13)26-20(25-15)32(30,31)28-6-5-27(18(29)10-28)9-12-1-3-14-16(7-12)23-11-24-19(14)22/h1-4,7-8,11H,5-6,9-10H2,(H,25,26)(H2,22,23,24)
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3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111955
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25)
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10n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090593
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-13-22-10-16(24)4-5-23-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,23,27)
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12n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090593
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-13-22-10-16(24)4-5-23-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,23,27)
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12n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111963
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-bromo-1H-be...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Br)cc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C21H20BrN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25)
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17n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090592
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S2/c20-14-2-1-13-7-19(30-16(13)8-14)31(28,29)25-6-5-24(18(27)11-25)10-17(26)22-4-3-15-9-21-12-23-15/h1-2,7-9,12H,3-6,10-11H2,(H,21,23)(H,22,26)
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21n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111957
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26)
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24n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111965
PNG
(4-[4-(6-Chloro-1H-benzoimidazol-2-ylmethyl)-2-oxo-...)
Show SMILES NC(=N)c1ccc(CN2CCN(Cc3nc4ccc(Cl)cc4[nH]3)CC2=O)cc1
Show InChI InChI=1S/C20H21ClN6O/c21-15-5-6-16-17(9-15)25-18(24-16)11-26-7-8-27(19(28)12-26)10-13-1-3-14(4-2-13)20(22)23/h1-6,9H,7-8,10-12H2,(H3,22,23)(H,24,25)
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40n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111955
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25)
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42n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090605
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2ccncc2)C(=O)C1
Show InChI InChI=1S/C21H21ClN4O4S2/c22-17-2-1-16-11-21(31-18(16)12-17)32(29,30)26-10-9-25(20(28)14-26)13-19(27)24-8-5-15-3-6-23-7-4-15/h1-4,6-7,11-12H,5,8-10,13-14H2,(H,24,27)
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59n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090600
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)Nc2ccncn2)C(=O)C1
Show InChI InChI=1S/C18H16ClN5O4S2/c19-13-2-1-12-7-18(29-14(12)8-13)30(27,28)24-6-5-23(17(26)10-24)9-16(25)22-15-3-4-20-11-21-15/h1-4,7-8,11H,5-6,9-10H2,(H,20,21,22,25)
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97n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111960
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-methyl-1H-b...)
Show SMILES Cc1ccc2nc(CN3CCN(Cc4ccc5c(N)ncnc5c4)C(=O)C3)[nH]c2c1
Show InChI InChI=1S/C22H23N7O/c1-14-2-5-17-19(8-14)27-20(26-17)11-28-6-7-29(21(30)12-28)10-15-3-4-16-18(9-15)24-13-25-22(16)23/h2-5,8-9,13H,6-7,10-12H2,1H3,(H,26,27)(H2,23,24,25)
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120n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090597
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2ccccn2)C(=O)C1
Show InChI InChI=1S/C21H21ClN4O4S2/c22-16-5-4-15-11-21(31-18(15)12-16)32(29,30)26-10-9-25(20(28)14-26)13-19(27)24-8-6-17-3-1-2-7-23-17/h1-5,7,11-12H,6,8-10,13-14H2,(H,24,27)
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140n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090595
PNG
(CHEMBL47654 | N-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...)
Show SMILES Nc1cc(CCNC(=O)CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)ccn1
Show InChI InChI=1S/C21H22ClN5O4S2/c22-16-2-1-15-10-21(32-17(15)11-16)33(30,31)27-8-7-26(20(29)13-27)12-19(28)25-6-4-14-3-5-24-18(23)9-14/h1-3,5,9-11H,4,6-8,12-13H2,(H2,23,24)(H,25,28)
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140n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090604
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cscn2)C(=O)C1
Show InChI InChI=1S/C19H19ClN4O4S3/c20-14-2-1-13-7-19(30-16(13)8-14)31(27,28)24-6-5-23(18(26)10-24)9-17(25)21-4-3-15-11-29-12-22-15/h1-2,7-8,11-12H,3-6,9-10H2,(H,21,25)
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160n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090596
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)Nc2ccncc2)C(=O)C1
Show InChI InChI=1S/C19H17ClN4O4S2/c20-14-2-1-13-9-19(29-16(13)10-14)30(27,28)24-8-7-23(18(26)12-24)11-17(25)22-15-3-5-21-6-4-15/h1-6,9-10H,7-8,11-12H2,(H,21,22,25)
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170n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090613
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cccnc2)C(=O)C1
Show InChI InChI=1S/C21H21ClN4O4S2/c22-17-4-3-16-10-21(31-18(16)11-17)32(29,30)26-9-8-25(20(28)14-26)13-19(27)24-7-5-15-2-1-6-23-12-15/h1-4,6,10-12H,5,7-9,13-14H2,(H,24,27)
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250n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090615
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cc1ncsc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H21ClN4O4S3/c1-13-16(30-12-23-13)4-5-22-18(26)10-24-6-7-25(11-19(24)27)32(28,29)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,22,26)
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270n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111961
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1-me...)
Show SMILES Cn1c(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)nc2ccc(Cl)cc12
Show InChI InChI=1S/C22H22ClN7O/c1-28-19-9-15(23)3-5-17(19)27-20(28)11-29-6-7-30(21(31)12-29)10-14-2-4-16-18(8-14)25-13-26-22(16)24/h2-5,8-9,13H,6-7,10-12H2,1H3,(H2,24,25,26)
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290n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090594
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cc1nc[nH]c1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-13-16(24-12-23-13)4-5-22-18(27)10-25-6-7-26(11-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,22,27)(H,23,24)
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340n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111956
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-i...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5ccc(Cl)cc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-3-2-15-8-17(27-19(15)9-16)11-28-5-6-29(21(30)12-28)10-14-1-4-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26)
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390n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090609
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cnc(CCNC(=O)CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)c1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-10-16(23-13-24)4-5-22-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,22,27)
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430n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090611
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2c[nH]c(=S)[nH]2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S3/c20-13-2-1-12-7-18(31-15(12)8-13)32(28,29)25-6-5-24(17(27)11-25)10-16(26)21-4-3-14-9-22-19(30)23-14/h1-2,7-9H,3-6,10-11H2,(H,21,26)(H2,22,23,30)
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620n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090603
PNG
(CHEMBL295515 | N-[2-(2-Amino-thiazol-4-yl)-ethyl]-...)
Show SMILES Nc1nc(CCNC(=O)CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cs1
Show InChI InChI=1S/C19H20ClN5O4S3/c20-13-2-1-12-7-18(31-15(12)8-13)32(28,29)25-6-5-24(17(27)10-25)9-16(26)22-4-3-14-11-30-19(21)23-14/h1-2,7-8,11H,3-6,9-10H2,(H2,21,23)(H,22,26)
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620n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090598
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCc2cccnc2)C(=O)C1
Show InChI InChI=1S/C20H19ClN4O4S2/c21-16-4-3-15-8-20(30-17(15)9-16)31(28,29)25-7-6-24(19(27)13-25)12-18(26)23-11-14-2-1-5-22-10-14/h1-5,8-10H,6-7,11-13H2,(H,23,26)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090599
PNG
((S)-2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl...)
Show SMILES COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C21H22ClN5O6S2/c1-33-21(30)16(8-15-9-23-12-24-15)25-18(28)10-26-4-5-27(11-19(26)29)35(31,32)20-6-13-2-3-14(22)7-17(13)34-20/h2-3,6-7,9,12,16H,4-5,8,10-11H2,1H3,(H,23,24)(H,25,28)/t16-/m0/s1
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090606
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCCn2ccnc2)C(=O)C1
Show InChI InChI=1S/C20H22ClN5O4S2/c21-16-3-2-15-10-20(31-17(15)11-16)32(29,30)26-9-8-25(19(28)13-26)12-18(27)23-4-1-6-24-7-5-22-14-24/h2-3,5,7,10-11,14H,1,4,6,8-9,12-13H2,(H,23,27)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090601
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2)C(=O)C1
Show InChI InChI=1S/C20H18ClN3O4S2/c21-15-7-6-14-10-20(29-17(14)11-15)30(27,28)24-9-8-23(19(26)13-24)12-18(25)22-16-4-2-1-3-5-16/h1-7,10-11H,8-9,12-13H2,(H,22,25)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090602
PNG
((R)-2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl...)
Show SMILES COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C21H22ClN5O6S2/c1-33-21(30)16(8-15-9-23-12-24-15)25-18(28)10-26-4-5-27(11-19(26)29)35(31,32)20-6-13-2-3-14(22)7-17(13)34-20/h2-3,6-7,9,12,16H,4-5,8,10-11H2,1H3,(H,23,24)(H,25,28)/t16-/m1/s1
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090607
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES CN(C(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1)c1ccncc1
Show InChI InChI=1S/C20H19ClN4O4S2/c1-23(16-4-6-22-7-5-16)18(26)12-24-8-9-25(13-19(24)27)31(28,29)20-10-14-2-3-15(21)11-17(14)30-20/h2-7,10-11H,8-9,12-13H2,1H3
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090610
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)Nc2cccnc2)C(=O)C1
Show InChI InChI=1S/C19H17ClN4O4S2/c20-14-4-3-13-8-19(29-16(13)9-14)30(27,28)24-7-6-23(18(26)12-24)11-17(25)22-15-2-1-5-21-10-15/h1-5,8-10H,6-7,11-12H2,(H,22,25)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090608
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cccc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C21H23ClN4O4S2/c1-24-8-2-3-17(24)6-7-23-19(27)13-25-9-10-26(14-20(25)28)32(29,30)21-11-15-4-5-16(22)12-18(15)31-21/h2-5,8,11-12H,6-7,9-10,13-14H2,1H3,(H,23,27)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090612
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NC2CCNCC2)C(=O)C1
Show InChI InChI=1S/C19H23ClN4O4S2/c20-14-2-1-13-9-19(29-16(13)10-14)30(27,28)24-8-7-23(18(26)12-24)11-17(25)22-15-3-5-21-6-4-15/h1-2,9-10,15,21H,3-8,11-12H2,(H,22,25)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090614
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCn2ccnc2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S2/c20-15-2-1-14-9-19(30-16(14)10-15)31(28,29)25-8-7-24(18(27)12-25)11-17(26)22-4-6-23-5-3-21-13-23/h1-3,5,9-10,13H,4,6-8,11-12H2,(H,22,26)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111959
PNG
(3-[4-(6-Chloro-1H-benzoimidazol-2-ylmethyl)-2-oxo-...)
Show SMILES NC(=N)c1cccc(CN2CCN(Cc3nc4ccc(Cl)cc4[nH]3)CC2=O)c1
Show InChI InChI=1S/C20H21ClN6O/c21-15-4-5-16-17(9-15)25-18(24-16)11-26-6-7-27(19(28)12-26)10-13-2-1-3-14(8-13)20(22)23/h1-5,8-9H,6-7,10-12H2,(H3,22,23)(H,24,25)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111962
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-benz...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5o4)CC3=O)ccc12
Show InChI InChI=1S/C21H19ClN6O2/c22-14-2-4-18-17(8-14)26-19(30-18)10-27-5-6-28(20(29)11-27)9-13-1-3-15-16(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H2,23,24,25)
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1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111964
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(1H-benzoimida...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccccc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C21H21N7O/c22-21-15-6-5-14(9-18(15)23-13-24-21)10-28-8-7-27(12-20(28)29)11-19-25-16-3-1-2-4-17(16)26-19/h1-6,9,13H,7-8,10-12H2,(H,25,26)(H2,22,23,24)
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1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111967
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-benz...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5s4)CC3=O)ccc12
Show InChI InChI=1S/C21H19ClN6OS/c22-14-2-4-18-17(8-14)26-19(30-18)10-27-5-6-28(20(29)11-27)9-13-1-3-15-16(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H2,23,24,25)
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1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111958
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)
Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-2-4-15-17(8-13)26-20(25-15)32(30,31)28-6-5-27(18(29)10-28)9-12-1-3-14-16(7-12)23-11-24-19(14)22/h1-4,7-8,11H,5-6,9-10H2,(H,25,26)(H2,22,23,24)
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>2.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111957
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26)
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>2.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111955
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25)
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>2.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50090592
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S2/c20-14-2-1-13-7-19(30-16(13)8-14)31(28,29)25-6-5-24(18(27)11-25)10-17(26)22-4-3-15-9-21-12-23-15/h1-2,7-9,12H,3-6,10-11H2,(H,21,23)(H,22,26)
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>2.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against trypsin


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50090593
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-13-22-10-16(24)4-5-23-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,23,27)
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>2.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against trypsin.


Bioorg Med Chem Lett 10: 1737-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00316-4
BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50111957
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26)
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>4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50111958
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)
Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-2-4-15-17(8-13)26-20(25-15)32(30,31)28-6-5-27(18(29)10-28)9-12-1-3-14-16(7-12)23-11-24-19(14)22/h1-4,7-8,11H,5-6,9-10H2,(H,25,26)(H2,22,23,24)
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>4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50111955
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
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