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Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50029883   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Trypsin.


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against C1s serine protease .


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against plasmin.


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Thrombin.


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Thrombin.


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Kallikrein.


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289007
PNG
(2-(2-Iodo-phenyl)-naphtho[2,3-d][1,3]oxazin-4-one ...)
Show SMILES Ic1ccccc1-c1nc2cc3ccccc3cc2c(=O)o1
Show InChI InChI=1S/C18H10INO2/c19-15-8-4-3-7-13(15)17-20-16-10-12-6-2-1-5-11(12)9-14(16)18(21)22-17/h1-10H
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TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 1.04E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 1.25E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against C1s serine protease .


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 1.37E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50288998
PNG
(6,7-Dichloro-2-(2-iodo-phenyl)-benzo[d][1,3]oxazin...)
Show SMILES Clc1cc2nc(oc(=O)c2cc1Cl)-c1ccccc1I
Show InChI InChI=1S/C14H6Cl2INO2/c15-9-5-8-12(6-10(9)16)18-13(20-14(8)19)7-3-1-2-4-11(7)17/h1-6H
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289004
PNG
(6-Chloro-2-(2-iodo-phenyl)-benzo[d][1,3]oxazin-4-o...)
Show SMILES Clc1ccc2nc(oc(=O)c2c1)-c1ccccc1I
Show InChI InChI=1S/C14H7ClINO2/c15-8-5-6-12-10(7-8)14(18)19-13(17-12)9-3-1-2-4-11(9)16/h1-7H
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289016
PNG
(5-Chloro-2-(2-iodo-phenyl)-benzo[d][1,3]oxazin-4-o...)
Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1I
Show InChI InChI=1S/C14H7ClINO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50288996
PNG
(2-(2-Trifluoromethyl-phenyl)-benzo[d][1,3]oxazin-4...)
Show SMILES FC(F)(F)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H8F3NO2/c16-15(17,18)11-7-3-1-5-9(11)13-19-12-8-4-2-6-10(12)14(20)21-13/h1-8H
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n/an/a 4.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289011
PNG
(2-(2-Iodo-phenyl)-6-methoxy-benzo[d][1,3]oxazin-4-...)
Show SMILES COc1ccc2nc(oc(=O)c2c1)-c1ccccc1I
Show InChI InChI=1S/C15H10INO3/c1-19-9-6-7-13-11(8-9)15(18)20-14(17-13)10-4-2-3-5-12(10)16/h2-8H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289009
PNG
(2-(2-Iodo-benzyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1Cc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H10INO2/c16-12-7-3-1-5-10(12)9-14-17-13-8-4-2-6-11(13)15(18)19-14/h1-8H,9H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 6.68E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against plasmin.


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50288997
PNG
(2-(2-Iodo-phenyl)-5-methyl-benzo[d][1,3]oxazin-4-o...)
Show SMILES Cc1cccc2nc(oc(=O)c12)-c1ccccc1I
Show InChI InChI=1S/C15H10INO2/c1-9-5-4-8-12-13(9)15(18)19-14(17-12)10-6-2-3-7-11(10)16/h2-8H,1H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289004
PNG
(6-Chloro-2-(2-iodo-phenyl)-benzo[d][1,3]oxazin-4-o...)
Show SMILES Clc1ccc2nc(oc(=O)c2c1)-c1ccccc1I
Show InChI InChI=1S/C14H7ClINO2/c15-8-5-6-12-10(7-8)14(18)19-13(17-12)9-3-1-2-4-11(9)16/h1-7H
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n/an/a 7.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289006
PNG
(2-(2-Bromo-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES Brc1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8BrNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 9.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 9.89E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Kallikrein.


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289008
PNG
(2-(2-Iodo-phenyl)-6-methyl-benzo[d][1,3]oxazin-4-o...)
Show SMILES Cc1ccc2nc(oc(=O)c2c1)-c1ccccc1I
Show InChI InChI=1S/C15H10INO2/c1-9-6-7-13-11(8-9)15(18)19-14(17-13)10-4-2-3-5-12(10)16/h2-8H,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289012
PNG
(2-(2-Fluoro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-...)
Show SMILES Fc1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8FNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 1.21E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289016
PNG
(5-Chloro-2-(2-iodo-phenyl)-benzo[d][1,3]oxazin-4-o...)
Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1I
Show InChI InChI=1S/C14H7ClINO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H
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n/an/a 1.35E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM33703
PNG
(2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8N2O4/c17-14-9-5-1-3-7-11(9)15-13(20-14)10-6-2-4-8-12(10)16(18)19/h1-8H
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against C1r serine protease in assay 1


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 1.53E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Trypsin.


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 1.67E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289010
PNG
(2-(2-Chloro-phenyl)-benzo[d][1,3]oxazin-4-one | CH...)
Show SMILES Clc1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8ClNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 1.73E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289000
PNG
(2-(2-Methoxy-phenyl)-benzo[d][1,3]oxazin-4-one | 2...)
Show SMILES COc1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H11NO3/c1-18-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(17)19-14/h2-9H,1H3
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n/an/a 1.77E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289017
PNG
(2-(2-Iodo-phenyl)-7-nitro-benzo[d][1,3]oxazin-4-on...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)nc(oc2=O)-c1ccccc1I
Show InChI InChI=1S/C14H7IN2O4/c15-11-4-2-1-3-9(11)13-16-12-7-8(17(19)20)5-6-10(12)14(18)21-13/h1-7H
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n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289009
PNG
(2-(2-Iodo-benzyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1Cc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H10INO2/c16-12-7-3-1-5-10(12)9-14-17-13-8-4-2-6-11(13)15(18)19-14/h1-8H,9H2
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n/an/a 2.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289004
PNG
(6-Chloro-2-(2-iodo-phenyl)-benzo[d][1,3]oxazin-4-o...)
Show SMILES Clc1ccc2nc(oc(=O)c2c1)-c1ccccc1I
Show InChI InChI=1S/C14H7ClINO2/c15-8-5-6-12-10(7-8)14(18)19-13(17-12)9-3-1-2-4-11(9)16/h1-7H
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n/an/a 2.73E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289006
PNG
(2-(2-Bromo-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES Brc1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8BrNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50288996
PNG
(2-(2-Trifluoromethyl-phenyl)-benzo[d][1,3]oxazin-4...)
Show SMILES FC(F)(F)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H8F3NO2/c16-15(17,18)11-7-3-1-5-9(11)13-19-12-8-4-2-6-10(12)14(20)21-13/h1-8H
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n/an/a 3.54E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM33703
PNG
(2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8N2O4/c17-14-9-5-1-3-7-11(9)15-13(20-14)10-6-2-4-8-12(10)16(18)19/h1-8H
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n/an/a 3.63E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289009
PNG
(2-(2-Iodo-benzyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1Cc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H10INO2/c16-12-7-3-1-5-10(12)9-14-17-13-8-4-2-6-11(13)15(18)19-14/h1-8H,9H2
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289010
PNG
(2-(2-Chloro-phenyl)-benzo[d][1,3]oxazin-4-one | CH...)
Show SMILES Clc1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8ClNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 4.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289006
PNG
(2-(2-Bromo-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES Brc1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8BrNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 4.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against C1r serine protease in assay 2 at t=60 min.


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289008
PNG
(2-(2-Iodo-phenyl)-6-methyl-benzo[d][1,3]oxazin-4-o...)
Show SMILES Cc1ccc2nc(oc(=O)c2c1)-c1ccccc1I
Show InChI InChI=1S/C15H10INO2/c1-9-6-7-13-11(8-9)15(18)19-14(17-13)10-4-2-3-5-12(10)16/h2-8H,1H3
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UniChem
Article
n/an/a 5.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289016
PNG
(5-Chloro-2-(2-iodo-phenyl)-benzo[d][1,3]oxazin-4-o...)
Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1I
Show InChI InChI=1S/C14H7ClINO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H
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Article
n/an/a 5.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for percentage inhibitory activity against C1r serine protease in assay 1.


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289010
PNG
(2-(2-Chloro-phenyl)-benzo[d][1,3]oxazin-4-one | CH...)
Show SMILES Clc1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8ClNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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UniChem
Article
n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289017
PNG
(2-(2-Iodo-phenyl)-7-nitro-benzo[d][1,3]oxazin-4-on...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)nc(oc2=O)-c1ccccc1I
Show InChI InChI=1S/C14H7IN2O4/c15-11-4-2-1-3-9(11)13-16-12-7-8(17(19)20)5-6-10(12)14(18)21-13/h1-7H
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Article
n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289013
PNG
(2-(3-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1cccc(c1)-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(17)18-13/h1-8H
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Article
n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289005
PNG
(2-(2-Hydroxy-phenyl)-benzo[d][1,3]oxazin-4-one | C...)
Show SMILES Oc1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H9NO3/c16-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(17)18-13/h1-8,16H
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Article
n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50288999
PNG
(2-(2-Iodo-phenyl)-7-methyl-benzo[d][1,3]oxazin-4-o...)
Show SMILES Cc1ccc2c(c1)nc(oc2=O)-c1ccccc1I
Show InChI InChI=1S/C15H10INO2/c1-9-6-7-11-13(8-9)17-14(19-15(11)18)10-4-2-3-5-12(10)16/h2-8H,1H3
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UniChem
Article
n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
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