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Compile Data Set for Download or QSAR

Found 207 hits with Last Name = 'miltz' and Initial = 'w'   
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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM30344
PNG
(Cipemastat | Trocade)
Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r|
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP1


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50183784
PNG
((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@H]([C@H](CO)C(=O)NO)c1ccc(OC)cc1)C(C)(C)C |r|
Show InChI InChI=1S/C19H29N3O6/c1-19(2,3)15(18(26)20-4)21-17(25)14(13(10-23)16(24)22-27)11-6-8-12(28-5)9-7-11/h6-9,13-15,23,27H,10H2,1-5H3,(H,20,26)(H,21,25)(H,22,24)/t13-,14+,15+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP13


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50183784
PNG
((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@H]([C@H](CO)C(=O)NO)c1ccc(OC)cc1)C(C)(C)C |r|
Show InChI InChI=1S/C19H29N3O6/c1-19(2,3)15(18(26)20-4)21-17(25)14(13(10-23)16(24)22-27)11-6-8-12(28-5)9-7-11/h6-9,13-15,23,27H,10H2,1-5H3,(H,20,26)(H,21,25)(H,22,24)/t13-,14+,15+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant TACE


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50183781
PNG
((S)-1-((2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbam...)
Show SMILES CC[C@@H]([C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C19H26ClN3O4/c1-3-14(17(24)22-27)16(12-7-9-13(20)10-8-12)19(26)23-11-5-4-6-15(23)18(25)21-2/h7-10,14-16,27H,3-6,11H2,1-2H3,(H,21,25)(H,22,24)/t14-,15-,16+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP1


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50183783
PNG
((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@H]([C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)c1ccc(OC)cc1)C(C)(C)C
Show InChI InChI=1S/C25H37N5O7/c1-24(2,3)18(21(33)26-6)27-20(32)17(14-9-11-15(37-8)12-10-14)16(19(31)28-36)13-30-22(34)25(4,5)29(7)23(30)35/h9-12,16-18,36H,13H2,1-8H3,(H,26,33)(H,27,32)(H,28,31)/t16-,17+,18+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP1


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50183784
PNG
((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@H]([C@H](CO)C(=O)NO)c1ccc(OC)cc1)C(C)(C)C |r|
Show InChI InChI=1S/C19H29N3O6/c1-19(2,3)15(18(26)20-4)21-17(25)14(13(10-23)16(24)22-27)11-6-8-12(28-5)9-7-11/h6-9,13-15,23,27H,10H2,1-5H3,(H,20,26)(H,21,25)(H,22,24)/t13-,14+,15+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP3


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50183784
PNG
((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@H]([C@H](CO)C(=O)NO)c1ccc(OC)cc1)C(C)(C)C |r|
Show InChI InChI=1S/C19H29N3O6/c1-19(2,3)15(18(26)20-4)21-17(25)14(13(10-23)16(24)22-27)11-6-8-12(28-5)9-7-11/h6-9,13-15,23,27H,10H2,1-5H3,(H,20,26)(H,21,25)(H,22,24)/t13-,14+,15+/m0/s1
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1n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP1


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM30344
PNG
(Cipemastat | Trocade)
Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r|
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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1n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP13


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50183781
PNG
((S)-1-((2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbam...)
Show SMILES CC[C@@H]([C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C19H26ClN3O4/c1-3-14(17(24)22-27)16(12-7-9-13(20)10-8-12)19(26)23-11-5-4-6-15(23)18(25)21-2/h7-10,14-16,27H,3-6,11H2,1-2H3,(H,21,25)(H,22,24)/t14-,15-,16+/m0/s1
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2n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP13


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50183783
PNG
((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@H]([C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)c1ccc(OC)cc1)C(C)(C)C
Show InChI InChI=1S/C25H37N5O7/c1-24(2,3)18(21(33)26-6)27-20(32)17(14-9-11-15(37-8)12-10-14)16(19(31)28-36)13-30-22(34)25(4,5)29(7)23(30)35/h9-12,16-18,36H,13H2,1-8H3,(H,26,33)(H,27,32)(H,28,31)/t16-,17+,18+/m0/s1
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3n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP13


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50183781
PNG
((S)-1-((2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbam...)
Show SMILES CC[C@@H]([C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C19H26ClN3O4/c1-3-14(17(24)22-27)16(12-7-9-13(20)10-8-12)19(26)23-11-5-4-6-15(23)18(25)21-2/h7-10,14-16,27H,3-6,11H2,1-2H3,(H,21,25)(H,22,24)/t14-,15-,16+/m0/s1
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5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant TACE


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50183781
PNG
((S)-1-((2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbam...)
Show SMILES CC[C@@H]([C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C19H26ClN3O4/c1-3-14(17(24)22-27)16(12-7-9-13(20)10-8-12)19(26)23-11-5-4-6-15(23)18(25)21-2/h7-10,14-16,27H,3-6,11H2,1-2H3,(H,21,25)(H,22,24)/t14-,15-,16+/m0/s1
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5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP3


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50183785
PNG
((S)-1-((2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyph...)
Show SMILES CC[C@@H]([C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C20H29N3O5/c1-4-15(18(24)22-27)17(13-8-10-14(28-3)11-9-13)20(26)23-12-6-5-7-16(23)19(25)21-2/h8-11,15-17,27H,4-7,12H2,1-3H3,(H,21,25)(H,22,24)/t15-,16-,17+/m0/s1
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7n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP13


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50183785
PNG
((S)-1-((2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyph...)
Show SMILES CC[C@@H]([C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C20H29N3O5/c1-4-15(18(24)22-27)17(13-8-10-14(28-3)11-9-13)20(26)23-12-6-5-7-16(23)19(25)21-2/h8-11,15-17,27H,4-7,12H2,1-3H3,(H,21,25)(H,22,24)/t15-,16-,17+/m0/s1
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8n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant TACE


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50183787
PNG
((S)-1-((2S,3R)-4-(hydroxyamino)-3-(hydroxymethyl)-...)
Show SMILES CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]([C@H](CO)C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H27N3O6/c1-20-18(25)15-5-3-4-10-22(15)19(26)16(14(11-23)17(24)21-27)12-6-8-13(28-2)9-7-12/h6-9,14-16,23,27H,3-5,10-11H2,1-2H3,(H,20,25)(H,21,24)/t14-,15-,16+/m0/s1
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8n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant TACE


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50183787
PNG
((S)-1-((2S,3R)-4-(hydroxyamino)-3-(hydroxymethyl)-...)
Show SMILES CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]([C@H](CO)C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H27N3O6/c1-20-18(25)15-5-3-4-10-22(15)19(26)16(14(11-23)17(24)21-27)12-6-8-13(28-2)9-7-12/h6-9,14-16,23,27H,3-5,10-11H2,1-2H3,(H,20,25)(H,21,24)/t14-,15-,16+/m0/s1
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10n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP13


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50183785
PNG
((S)-1-((2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyph...)
Show SMILES CC[C@@H]([C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C20H29N3O5/c1-4-15(18(24)22-27)17(13-8-10-14(28-3)11-9-13)20(26)23-12-6-5-7-16(23)19(25)21-2/h8-11,15-17,27H,4-7,12H2,1-3H3,(H,21,25)(H,22,24)/t15-,16-,17+/m0/s1
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11n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP3


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50183783
PNG
((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@H]([C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)c1ccc(OC)cc1)C(C)(C)C
Show InChI InChI=1S/C25H37N5O7/c1-24(2,3)18(21(33)26-6)27-20(32)17(14-9-11-15(37-8)12-10-14)16(19(31)28-36)13-30-22(34)25(4,5)29(7)23(30)35/h9-12,16-18,36H,13H2,1-8H3,(H,26,33)(H,27,32)(H,28,31)/t16-,17+,18+/m0/s1
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12n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP3


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50183782
PNG
((2R,3S)-N-hydroxy-3-(4-methoxyphenyl)-4-oxo-4-(pip...)
Show SMILES COc1ccc(cc1)[C@H]([C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H32N4O6/c1-23(2)21(30)27(22(31)25(23)3)14-17(19(28)24-32)18(15-8-10-16(33-4)11-9-15)20(29)26-12-6-5-7-13-26/h8-11,17-18,32H,5-7,12-14H2,1-4H3,(H,24,28)/t17-,18+/m0/s1
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19n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP13


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50183787
PNG
((S)-1-((2S,3R)-4-(hydroxyamino)-3-(hydroxymethyl)-...)
Show SMILES CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]([C@H](CO)C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H27N3O6/c1-20-18(25)15-5-3-4-10-22(15)19(26)16(14(11-23)17(24)21-27)12-6-8-13(28-2)9-7-12/h6-9,14-16,23,27H,3-5,10-11H2,1-2H3,(H,20,25)(H,21,24)/t14-,15-,16+/m0/s1
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23n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP1


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50183785
PNG
((S)-1-((2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyph...)
Show SMILES CC[C@@H]([C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C20H29N3O5/c1-4-15(18(24)22-27)17(13-8-10-14(28-3)11-9-13)20(26)23-12-6-5-7-16(23)19(25)21-2/h8-11,15-17,27H,4-7,12H2,1-3H3,(H,21,25)(H,22,24)/t15-,16-,17+/m0/s1
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25n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP1


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50183786
PNG
((2R,3S)-N-hydroxy-2-(hydroxymethyl)-3-(4-methoxyph...)
Show SMILES COc1ccc(cc1)[C@H]([C@H](CO)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H24N2O5/c1-24-13-7-5-12(6-8-13)15(14(11-20)16(21)18-23)17(22)19-9-3-2-4-10-19/h5-8,14-15,20,23H,2-4,9-11H2,1H3,(H,18,21)/t14-,15+/m0/s1
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55n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP13


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM30344
PNG
(Cipemastat | Trocade)
Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r|
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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56n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP3


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50183783
PNG
((2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxo...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@H]([C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)c1ccc(OC)cc1)C(C)(C)C
Show InChI InChI=1S/C25H37N5O7/c1-24(2,3)18(21(33)26-6)27-20(32)17(14-9-11-15(37-8)12-10-14)16(19(31)28-36)13-30-22(34)25(4,5)29(7)23(30)35/h9-12,16-18,36H,13H2,1-8H3,(H,26,33)(H,27,32)(H,28,31)/t16-,17+,18+/m0/s1
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57n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant TACE


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50183786
PNG
((2R,3S)-N-hydroxy-2-(hydroxymethyl)-3-(4-methoxyph...)
Show SMILES COc1ccc(cc1)[C@H]([C@H](CO)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H24N2O5/c1-24-13-7-5-12(6-8-13)15(14(11-20)16(21)18-23)17(22)19-9-3-2-4-10-19/h5-8,14-15,20,23H,2-4,9-11H2,1H3,(H,18,21)/t14-,15+/m0/s1
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66n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant TACE


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50183782
PNG
((2R,3S)-N-hydroxy-3-(4-methoxyphenyl)-4-oxo-4-(pip...)
Show SMILES COc1ccc(cc1)[C@H]([C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H32N4O6/c1-23(2)21(30)27(22(31)25(23)3)14-17(19(28)24-32)18(15-8-10-16(33-4)11-9-15)20(29)26-12-6-5-7-13-26/h8-11,17-18,32H,5-7,12-14H2,1-4H3,(H,24,28)/t17-,18+/m0/s1
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83n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP1


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50183782
PNG
((2R,3S)-N-hydroxy-3-(4-methoxyphenyl)-4-oxo-4-(pip...)
Show SMILES COc1ccc(cc1)[C@H]([C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H32N4O6/c1-23(2)21(30)27(22(31)25(23)3)14-17(19(28)24-32)18(15-8-10-16(33-4)11-9-15)20(29)26-12-6-5-7-13-26/h8-11,17-18,32H,5-7,12-14H2,1-4H3,(H,24,28)/t17-,18+/m0/s1
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187n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP3


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50183786
PNG
((2R,3S)-N-hydroxy-2-(hydroxymethyl)-3-(4-methoxyph...)
Show SMILES COc1ccc(cc1)[C@H]([C@H](CO)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H24N2O5/c1-24-13-7-5-12(6-8-13)15(14(11-20)16(21)18-23)17(22)19-9-3-2-4-10-19/h5-8,14-15,20,23H,2-4,9-11H2,1H3,(H,18,21)/t14-,15+/m0/s1
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213n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP1


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM30344
PNG
(Cipemastat | Trocade)
Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r|
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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230n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant TACE


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50183786
PNG
((2R,3S)-N-hydroxy-2-(hydroxymethyl)-3-(4-methoxyph...)
Show SMILES COc1ccc(cc1)[C@H]([C@H](CO)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H24N2O5/c1-24-13-7-5-12(6-8-13)15(14(11-20)16(21)18-23)17(22)19-9-3-2-4-10-19/h5-8,14-15,20,23H,2-4,9-11H2,1H3,(H,18,21)/t14-,15+/m0/s1
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300n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant MMP3


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50183782
PNG
((2R,3S)-N-hydroxy-3-(4-methoxyphenyl)-4-oxo-4-(pip...)
Show SMILES COc1ccc(cc1)[C@H]([C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H32N4O6/c1-23(2)21(30)27(22(31)25(23)3)14-17(19(28)24-32)18(15-8-10-16(33-4)11-9-15)20(29)26-12-6-5-7-13-26/h8-11,17-18,32H,5-7,12-14H2,1-4H3,(H,24,28)/t17-,18+/m0/s1
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321n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant TACE


Bioorg Med Chem Lett 16: 2632-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.042
BindingDB Entry DOI: 10.7270/Q2JS9Q12
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251408
PNG
(US9452990, 90)
Show SMILES CCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C26H30FN7O3/c1-4-30-19(17-7-5-16(15-28)6-8-17)14-21(35)33-9-11-34(12-10-33)26-31-23-18(25(29)32-26)13-20(36-2)24(37-3)22(23)27/h5-8,13,19,30H,4,9-12,14H2,1-3H3,(H2,29,31,32)/t19-/s2
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n/an/a 1n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251420
PNG
(US9452990, 102)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NCC1(C)COC1)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C29H34FN7O4/c1-29(16-41-17-29)15-33-21(19-6-4-18(14-31)5-7-19)13-23(38)36-8-10-37(11-9-36)28-34-25-20(27(32)35-28)12-22(39-2)26(40-3)24(25)30/h4-7,12,21,33H,8-11,13,15-17H2,1-3H3,(H2,32,34,35)/t21-/s2
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n/an/a 1n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251449
PNG
(US9452990, 131)
Show SMILES CCNC(=O)[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C26H30F2N6O4/c1-4-30-25(36)17(15-5-7-16(27)8-6-15)14-20(35)33-9-11-34(12-10-33)26-31-22-18(24(29)32-26)13-19(37-2)23(38-3)21(22)28/h5-8,13,17H,4,9-12,14H2,1-3H3,(H,30,36)(H2,29,31,32)/t17-/s2
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n/an/a 3n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251413
PNG
(US9452990, 95)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NC(C)C)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C27H32FN7O3/c1-16(2)31-20(18-7-5-17(15-29)6-8-18)14-22(36)34-9-11-35(12-10-34)27-32-24-19(26(30)33-27)13-21(37-3)25(38-4)23(24)28/h5-8,13,16,20,31H,9-12,14H2,1-4H3,(H2,30,32,33)/t20-/s2
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n/an/a 3n/an/an/an/a7.425



NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251397
PNG
(US9452990, 77)
Show SMILES CN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C25H28FN7O3/c1-29-18(16-6-4-15(14-27)5-7-16)13-20(34)32-8-10-33(11-9-32)25-30-22-17(24(28)31-25)12-19(35-2)23(36-3)21(22)26/h4-7,12,18,29H,8-11,13H2,1-3H3,(H2,28,30,31)/t18-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251411
PNG
(US9452990, 93)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NCC1CC1)c1ccsc1 |r|
Show InChI InChI=1/C25H31FN6O3S/c1-34-19-11-17-22(21(26)23(19)35-2)29-25(30-24(17)27)32-8-6-31(7-9-32)20(33)12-18(16-5-10-36-14-16)28-13-15-3-4-15/h5,10-11,14-15,18,28H,3-4,6-9,12-13H2,1-2H3,(H2,27,29,30)/t18-/s2
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NOVARTIS AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123511
PNG
(US8748435, 36)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@H](N)CC1 |r,wU:25.28,wD:28.32,(-6.74,4.11,;-7.83,3.02,;-7.43,1.53,;-8.33,.29,;-7.43,-.96,;-7.75,-2.47,;-9.24,-2.86,;-6.6,-3.5,;-5.14,-3.02,;-4.05,-4.11,;-4.82,-1.51,;-5.96,-.48,;-5.96,1.06,;-4.63,1.83,;-3.3,1.06,;-3.3,-.48,;-1.96,-1.25,;-.63,-.48,;-.63,1.06,;-1.96,1.83,;.71,-1.25,;.71,-2.79,;2.17,-3.27,;3.08,-2.02,;2.17,-.78,;4.62,-2.02,;5.39,-.69,;6.93,-.69,;7.7,-2.02,;9.24,-2.02,;6.93,-3.36,;5.39,-3.36,)|
Show InChI InChI=1S/C25H30N6O/c1-4-22-21(23-27-15(2)13-16(3)31(23)30-22)14-17-5-7-18(8-6-17)24-28-29-25(32-24)19-9-11-20(26)12-10-19/h5-8,13,19-20H,4,9-12,14,26H2,1-3H3/t19-,20-
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Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XDK
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251348
PNG
(US9452990, 28)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc2cc(ccc2[nH]1)C#N |r|
Show InChI InChI=1/C30H26FN7O3/c1-40-24-14-20-26(25(31)27(24)41-2)35-30(36-28(20)33)38-11-10-37(16-23(38)18-6-4-3-5-7-18)29(39)22-13-19-12-17(15-32)8-9-21(19)34-22/h3-9,12-14,23,34H,10-11,16H2,1-2H3,(H2,33,35,36)/t23-/s2
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NOVARTIS AG

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Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251451
PNG
(US9452990, 80)
Show SMILES CN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C24H28F2N6O3/c1-28-17(14-4-6-15(25)7-5-14)13-19(33)31-8-10-32(11-9-31)24-29-21-16(23(27)30-24)12-18(34-2)22(35-3)20(21)26/h4-7,12,17,28H,8-11,13H2,1-3H3,(H2,27,29,30)/t17-/s2
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NOVARTIS AG

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Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251402
PNG
(US9452990, 84)
Show SMILES CCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C25H30F2N6O3/c1-4-29-18(15-5-7-16(26)8-6-15)14-20(34)32-9-11-33(12-10-32)25-30-22-17(24(28)31-25)13-19(35-2)23(36-3)21(22)27/h5-8,13,18,29H,4,9-12,14H2,1-3H3,(H2,28,30,31)/t18-/s2
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NOVARTIS AG

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Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251412
PNG
(US9452990, 94)
Show SMILES COCCCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C27H34F2N6O4/c1-37-14-4-9-31-20(17-5-7-18(28)8-6-17)16-22(36)34-10-12-35(13-11-34)27-32-24-19(26(30)33-27)15-21(38-2)25(39-3)23(24)29/h5-8,15,20,31H,4,9-14,16H2,1-3H3,(H2,30,32,33)/t20-/s2
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NOVARTIS AG

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Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251416
PNG
(US9452990, 98)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NCCF)c1ccc(F)cc1 |r|
Show InChI InChI=1/C25H29F3N6O3/c1-36-19-13-17-22(21(28)23(19)37-2)31-25(32-24(17)29)34-11-9-33(10-12-34)20(35)14-18(30-8-7-26)15-3-5-16(27)6-4-15/h3-6,13,18,30H,7-12,14H2,1-2H3,(H2,29,31,32)/t18-/s2
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NOVARTIS AG

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Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251417
PNG
(US9452990, 99)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](N1CCCCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C28H34F2N6O3/c1-38-22-16-20-25(24(30)26(22)39-2)32-28(33-27(20)31)36-14-12-35(13-15-36)23(37)17-21(34-10-4-3-5-11-34)18-6-8-19(29)9-7-18/h6-9,16,21H,3-5,10-15,17H2,1-2H3,(H2,31,32,33)/t21-/s2
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NOVARTIS AG

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Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251330
PNG
(US9452990, 10)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1c1ccccc1)C(=O)\C=C\c1ccc(cc1)C#N |r|
Show InChI InChI=1/C30H27FN6O3/c1-39-24-16-22-27(26(31)28(24)40-2)34-30(35-29(22)33)37-15-14-36(18-23(37)21-6-4-3-5-7-21)25(38)13-12-19-8-10-20(17-32)11-9-19/h3-13,16,23H,14-15,18H2,1-2H3,(H2,33,34,35)/b13-12+/t23-/s2
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NOVARTIS AG

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Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251345
PNG
(US9452990, 25)
Show SMILES CC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)c1cc2cc(ccc2[nH]1)C#N |r|
Show InChI InChI=1/C26H26FN7O3/c1-4-16-13-33(25(35)19-10-15-9-14(12-28)5-6-18(15)30-19)7-8-34(16)26-31-22-17(24(29)32-26)11-20(36-2)23(37-3)21(22)27/h5-6,9-11,16,30H,4,7-8,13H2,1-3H3,(H2,29,31,32)/t16-/s2
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NOVARTIS AG

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Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251384
PNG
(US9452990, 64)
Show SMILES CC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)C[C@@H](N)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C26H30FN7O3/c1-4-17-14-33(21(35)12-19(29)16-7-5-15(13-28)6-8-16)9-10-34(17)26-31-23-18(25(30)32-26)11-20(36-2)24(37-3)22(23)27/h5-8,11,17,19H,4,9-10,12,14,29H2,1-3H3,(H2,30,31,32)/t17-,19+/s2
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NOVARTIS AG

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Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251389
PNG
(US9452990, 69)
Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1c1ccccc1)C(=O)C[C@@H](N)c1ccc(F)cc1 |r|
Show InChI InChI=1/C29H30F2N6O3/c1-39-23-14-20-26(25(31)27(23)40-2)34-29(35-28(20)33)37-13-12-36(16-22(37)18-6-4-3-5-7-18)24(38)15-21(32)17-8-10-19(30)11-9-17/h3-11,14,21-22H,12-13,15-16,32H2,1-2H3,(H2,33,34,35)/t21-,22-/s2
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NOVARTIS AG

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Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123488
PNG
(US8748435, 13)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(C)[C@@H](CN(C)C)C2)cc1 |r|
Show InChI InChI=1S/C28H40N6/c1-7-27-26(28-29-21(2)17-22(3)34(28)30-27)18-24-12-10-23(11-13-24)9-8-14-33-16-15-32(6)25(20-33)19-31(4)5/h8-13,17,25H,7,14-16,18-20H2,1-6H3/b9-8+/t25-/m0/s1
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Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XDK
More data for this
Ligand-Target Pair
CVF-Bb Complex


(Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)
BDBM251410
PNG
(US9452990, 92)
Show SMILES CCCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(Cl)s1 |r|
Show InChI InChI=1/C24H30ClFN6O3S/c1-4-7-28-15(17-5-6-18(25)36-17)13-19(33)31-8-10-32(11-9-31)24-29-21-14(23(27)30-24)12-16(34-2)22(35-3)20(21)26/h5-6,12,15,28H,4,7-11,13H2,1-3H3,(H2,27,29,30)/t15-/s2
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NOVARTIS AG

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Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9452990 (2016)


BindingDB Entry DOI: 10.7270/Q2H130Z9
More data for this
Ligand-Target Pair
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