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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'pozzi' and Initial = 'a'   
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
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50509520
PNG
(CHEMBL4539920)
Show SMILES Cn1ccc(n1)-c1cncc(CNc2cc(ccc2F)C(=O)Nc2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C24H19F4N5O2/c1-33-8-7-21(32-33)17-9-15(12-29-14-17)13-30-22-10-16(5-6-20(22)25)23(34)31-18-3-2-4-19(11-18)35-24(26,27)28/h2-12,14,30H,13H2,1H3,(H,31,34)
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n/an/a 0.708n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged DDR1 in human HEK293 cells assessed as reduction in collagen-1-induced DDR1 phosphorylation incubated for 18 hrs by ELISA


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50509521
PNG
(CHEMBL4439970)
Show SMILES Cc1ccc(cc1NCc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-5-6-15(21(31)29-18-4-2-3-17(9-18)22(23,24)25)8-19(13)28-11-14-7-16(20(26)30)12-27-10-14/h2-10,12,28H,11H2,1H3,(H2,26,30)(H,29,31)
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n/an/a 4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR1 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50509519
PNG
(CHEMBL4546339)
Show SMILES Cc1ccc(cc1NCc1cncc(c1)-c1ccn(C)n1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5O/c1-16-6-7-18(24(34)31-21-5-3-4-20(12-21)25(26,27)28)11-23(16)30-14-17-10-19(15-29-13-17)22-8-9-33(2)32-22/h3-13,15,30H,14H2,1-2H3,(H,31,34)
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n/an/a 4.60n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR2 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50509520
PNG
(CHEMBL4539920)
Show SMILES Cn1ccc(n1)-c1cncc(CNc2cc(ccc2F)C(=O)Nc2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C24H19F4N5O2/c1-33-8-7-21(32-33)17-9-15(12-29-14-17)13-30-22-10-16(5-6-20(22)25)23(34)31-18-3-2-4-19(11-18)35-24(26,27)28/h2-12,14,30H,13H2,1H3,(H,31,34)
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n/an/a 4.70n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR1 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50297825
PNG
(5-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)...)
Show SMILES Cc1ccc(cc1Nc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
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n/an/a 4.80n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged DDR1 in human HEK293 cells assessed as reduction in collagen-1-induced DDR1 phosphorylation incubated for 18 hrs by ELISA


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50509521
PNG
(CHEMBL4439970)
Show SMILES Cc1ccc(cc1NCc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-5-6-15(21(31)29-18-4-2-3-17(9-18)22(23,24)25)8-19(13)28-11-14-7-16(20(26)30)12-27-10-14/h2-10,12,28H,11H2,1H3,(H2,26,30)(H,29,31)
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n/an/a 4.80n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR2 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50509522
PNG
(CHEMBL4467377)
Show SMILES COc1cncc(CNc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N3O2/c1-14-6-7-16(9-20(14)27-12-15-8-19(30-2)13-26-11-15)21(29)28-18-5-3-4-17(10-18)22(23,24)25/h3-11,13,27H,12H2,1-2H3,(H,28,29)
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n/an/a 5.90n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR1 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50509522
PNG
(CHEMBL4467377)
Show SMILES COc1cncc(CNc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N3O2/c1-14-6-7-16(9-20(14)27-12-15-8-19(30-2)13-26-11-15)21(29)28-18-5-3-4-17(10-18)22(23,24)25/h3-11,13,27H,12H2,1-2H3,(H,28,29)
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n/an/a 6.40n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR2 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50509520
PNG
(CHEMBL4539920)
Show SMILES Cn1ccc(n1)-c1cncc(CNc2cc(ccc2F)C(=O)Nc2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C24H19F4N5O2/c1-33-8-7-21(32-33)17-9-15(12-29-14-17)13-30-22-10-16(5-6-20(22)25)23(34)31-18-3-2-4-19(11-18)35-24(26,27)28/h2-12,14,30H,13H2,1H3,(H,31,34)
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n/an/a 7.40n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR2 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50509519
PNG
(CHEMBL4546339)
Show SMILES Cc1ccc(cc1NCc1cncc(c1)-c1ccn(C)n1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5O/c1-16-6-7-18(24(34)31-21-5-3-4-20(12-21)25(26,27)28)11-23(16)30-14-17-10-19(15-29-13-17)22-8-9-33(2)32-22/h3-13,15,30H,14H2,1-2H3,(H,31,34)
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n/an/a 8.5n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR1 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50509523
PNG
(CHEMBL4584937)
Show SMILES Cc1ccc(cc1NCc1cncc(c1)-c1ccc[nH]1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O/c1-16-7-8-18(24(33)32-21-5-2-4-20(12-21)25(26,27)28)11-23(16)31-14-17-10-19(15-29-13-17)22-6-3-9-30-22/h2-13,15,30-31H,14H2,1H3,(H,32,33)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR2 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50509517
PNG
(CHEMBL4447700)
Show SMILES Cc1ccc(cc1NCc1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N3O/c1-14-7-8-16(10-19(14)26-13-15-4-3-9-25-12-15)20(28)27-18-6-2-5-17(11-18)21(22,23)24/h2-12,26H,13H2,1H3,(H,27,28)
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n/an/a 11n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR1 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50509517
PNG
(CHEMBL4447700)
Show SMILES Cc1ccc(cc1NCc1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N3O/c1-14-7-8-16(10-19(14)26-13-15-4-3-9-25-12-15)20(28)27-18-6-2-5-17(11-18)21(22,23)24/h2-12,26H,13H2,1H3,(H,27,28)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR2 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50297825
PNG
(5-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)...)
Show SMILES Cc1ccc(cc1Nc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
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n/an/a 12n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human GST-tagged DDR1 expressed in baculovirus expression system incubated for 60 mins by TR-F...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50509523
PNG
(CHEMBL4584937)
Show SMILES Cc1ccc(cc1NCc1cncc(c1)-c1ccc[nH]1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O/c1-16-7-8-18(24(33)32-21-5-2-4-20(12-21)25(26,27)28)11-23(16)31-14-17-10-19(15-29-13-17)22-6-3-9-30-22/h2-13,15,30-31H,14H2,1H3,(H,32,33)
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n/an/a 15n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR1 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50297825
PNG
(5-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)...)
Show SMILES Cc1ccc(cc1Nc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
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n/an/a 19n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human GST-tagged DDR2 (427-855 residues) expressed in baculovirus expression system incubated ...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50509518
PNG
(CHEMBL4483465)
Show SMILES Cc1ccc(cc1NCc1cncc(c1)-c1ccc[nH]1)C(=O)Nc1ccc(C)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O/c1-16-6-8-21(12-22(16)26(27,28)29)33-25(34)19-7-5-17(2)24(11-19)32-14-18-10-20(15-30-13-18)23-4-3-9-31-23/h3-13,15,31-32H,14H2,1-2H3,(H,33,34)
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n/an/a 36n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR1 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50509518
PNG
(CHEMBL4483465)
Show SMILES Cc1ccc(cc1NCc1cncc(c1)-c1ccc[nH]1)C(=O)Nc1ccc(C)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O/c1-16-6-8-21(12-22(16)26(27,28)29)33-25(34)19-7-5-17(2)24(11-19)32-14-18-10-20(15-30-13-18)23-4-3-9-31-23/h3-13,15,31-32H,14H2,1-2H3,(H,33,34)
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n/an/a 44n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR2 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
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Article
PubMed
n/an/a 1.21E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
PDB
MMDB

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UniChem

Patents

Article
PubMed
n/an/a 1.45E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
PDB
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UniChem

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Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
PDB
MMDB

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CHEMBL
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UniChem

Patents

Article
PubMed
n/an/a 3.20E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair