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USPatent US9926281

Compile Data Set for Download or QSAR

Found 1937 hits of Enzyme Inhibition Constant Data   
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
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM379774
PNG
(US9926281, Compound 279 | US9926281, Compound 448)
Show SMILES COCC1(CC(C)C(=O)N2CCN(CC2)c2cc(F)c(Cl)c(F)c2)NC(=O)NC1=O
Show InChI InChI=1S/C19H23ClF2N4O4/c1-11(9-19(10-30-2)17(28)23-18(29)24-19)16(27)26-5-3-25(4-6-26)12-7-13(21)15(20)14(22)8-12/h7-8,11H,3-6,9-10H2,1-2H3,(H2,23,24,28,29)
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n/an/a 2n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
MMP2: Protocol 2: The basis for the assay is the cleavage of the substrate 390 MMP FRET substrate I (Anaspec, Catalog n#: AS-27076) by human MMP2 (R&...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379686
PNG
(US9926281, Compound 212)
Show SMILES C[C@@H](C[C@]1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C21H26F2N4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-16(22)17(23)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12-,13-,21-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379670
PNG
(US9926281, Compound 194 | US9926281, Compound 413)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C21H26ClFN4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-5-6-27(13(2)11-26)17-8-15(22)7-16(23)9-17/h7-9,12-14H,3-6,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1
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University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM379776
PNG
(US9926281, Compound 234)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CN(C1)C(=O)OC(C)(C)C)C(=O)N1CCN(CC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H33F2N5O5/c1-15(20(33)31-9-7-30(8-10-31)17-5-6-18(26)19(27)11-17)12-25(21(34)28-22(35)29-25)16-13-32(14-16)23(36)37-24(2,3)4/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H2,28,29,34,35)
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n/an/a 5.60n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
MMP-13:The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat # AS-27076) by human MMP13 (Chemicon, Cat #CC06...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379681
PNG
(US9926281, Compound 207 | US9926281, Compound 416)
Show SMILES C[C@H]1CN(CCN1c1ccc(Cl)c(Cl)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1
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University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379668
PNG
(US9926281, Compound 192 | US9926281, Compound 411)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C21H26ClFN4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-17(23)16(22)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM379776
PNG
(US9926281, Compound 234)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CN(C1)C(=O)OC(C)(C)C)C(=O)N1CCN(CC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H33F2N5O5/c1-15(20(33)31-9-7-30(8-10-31)17-5-6-18(26)19(27)11-17)12-25(21(34)28-22(35)29-25)16-13-32(14-16)23(36)37-24(2,3)4/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H2,28,29,34,35)
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Assay Description
MMP-14:The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat # AS-27076) by human MMP14 (Biomol, Cat #SE-259...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379669
PNG
(US9926281, Compound 193 | US9926281, Compound 412)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H27ClN4O3/c1-13(11-21(15-3-4-15)19(28)23-20(29)24-21)18(27)25-9-10-26(14(2)12-25)17-7-5-16(22)6-8-17/h5-8,13-15H,3-4,9-12H2,1-2H3,(H2,23,24,28,29)/t13?,14-,21?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379653
PNG
(US9926281, Compound 176)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cccc(Cl)c1C
Show InChI InChI=1S/C21H27ClN4O3/c1-13(12-21(15-6-7-15)19(28)23-20(29)24-21)18(27)26-10-8-25(9-11-26)17-5-3-4-16(22)14(17)2/h3-5,13,15H,6-12H2,1-2H3,(H2,23,24,28,29)
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University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM379901
PNG
(US9926281, Compound 396)
Show SMILES C[C@H]1CN(CCN1c1cc(F)cc(F)c1)C(=O)CCC1(NC(=O)NC1=O)c1nc(C)oc1C |r|
Show InChI InChI=1S/C22H25F2N5O4/c1-12-11-28(6-7-29(12)17-9-15(23)8-16(24)10-17)18(30)4-5-22(20(31)26-21(32)27-22)19-13(2)33-14(3)25-19/h8-10,12H,4-7,11H2,1-3H3,(H2,26,27,31,32)/t12-,22?/m0/s1
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University of Illinois at Chicago



Assay Description
MMP-14:The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat # AS-27076) by human MMP14 (Biomol, Cat #SE-259...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379645
PNG
(US9926281, Compound 167 | US9926281, Compound 408)
Show SMILES C[C@H]1CN(CCN1c1ccc(Cl)c(Cl)c1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20?/m0/s1
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University of Illinois at Chicago



Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379668
PNG
(US9926281, Compound 192 | US9926281, Compound 411)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C21H26ClFN4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-17(23)16(22)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1
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University of Illinois at Chicago



Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379667
PNG
(US9926281, Compound 191)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C21H26F2N4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-16(22)17(23)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379668
PNG
(US9926281, Compound 192 | US9926281, Compound 411)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C21H26ClFN4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-17(23)16(22)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379670
PNG
(US9926281, Compound 194 | US9926281, Compound 413)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C21H26ClFN4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-5-6-27(13(2)11-26)17-8-15(22)7-16(23)9-17/h7-9,12-14H,3-6,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379670
PNG
(US9926281, Compound 194 | US9926281, Compound 413)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C21H26ClFN4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-5-6-27(13(2)11-26)17-8-15(22)7-16(23)9-17/h7-9,12-14H,3-6,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379678
PNG
(US9926281, Compound 204)
Show SMILES C[C@H]1CN(CCN1c1cc(Cl)cc(Cl)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379649
PNG
(US9926281, Compound 172 | US9926281, Compound 409)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12(11-20(13-2-3-13)18(28)23-19(29)24-20)17(27)26-6-4-25(5-7-26)16-9-14(21)8-15(22)10-16/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379681
PNG
(US9926281, Compound 207 | US9926281, Compound 416)
Show SMILES C[C@H]1CN(CCN1c1ccc(Cl)c(Cl)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1
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University of Illinois at Chicago



Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379681
PNG
(US9926281, Compound 207 | US9926281, Compound 416)
Show SMILES C[C@H]1CN(CCN1c1ccc(Cl)c(Cl)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379686
PNG
(US9926281, Compound 212)
Show SMILES C[C@@H](C[C@]1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C21H26F2N4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-16(22)17(23)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12-,13-,21-/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379669
PNG
(US9926281, Compound 193 | US9926281, Compound 412)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H27ClN4O3/c1-13(11-21(15-3-4-15)19(28)23-20(29)24-21)18(27)25-9-10-26(14(2)12-25)17-7-5-16(22)6-8-17/h5-8,13-15H,3-4,9-12H2,1-2H3,(H2,23,24,28,29)/t13?,14-,21?/m0/s1
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University of Illinois at Chicago



Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379869
PNG
(US9926281, Compound 331 | US9926281, Compound 455)
Show SMILES COC[C@]1(C[C@H](C)C(=O)N2CCN([C@@H](C)C2)c2ccc(F)c(Cl)c2)NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H26ClFN4O4/c1-12(9-20(11-30-3)18(28)23-19(29)24-20)17(27)25-6-7-26(13(2)10-25)14-4-5-16(22)15(21)8-14/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H2,23,24,28,29)/t12-,13-,20-/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379869
PNG
(US9926281, Compound 331 | US9926281, Compound 455)
Show SMILES COC[C@]1(C[C@H](C)C(=O)N2CCN([C@@H](C)C2)c2ccc(F)c(Cl)c2)NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H26ClFN4O4/c1-12(9-20(11-30-3)18(28)23-19(29)24-20)17(27)25-6-7-26(13(2)10-25)14-4-5-16(22)15(21)8-14/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H2,23,24,28,29)/t12-,13-,20-/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379764
PNG
(US9926281, Compound 224 | US9926281, Compound 428)
Show SMILES COCC1(CC(C)C(=O)N2CCN(CC2)c2ccc(F)c(F)c2)NC(=O)NC1=O
Show InChI InChI=1S/C19H24F2N4O4/c1-12(10-19(11-29-2)17(27)22-18(28)23-19)16(26)25-7-5-24(6-8-25)13-3-4-14(20)15(21)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H2,22,23,27,28)
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379764
PNG
(US9926281, Compound 224 | US9926281, Compound 428)
Show SMILES COCC1(CC(C)C(=O)N2CCN(CC2)c2ccc(F)c(F)c2)NC(=O)NC1=O
Show InChI InChI=1S/C19H24F2N4O4/c1-12(10-19(11-29-2)17(27)22-18(28)23-19)16(26)25-7-5-24(6-8-25)13-3-4-14(20)15(21)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H2,22,23,27,28)
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379620
PNG
(US9926281, Compound 121)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H25ClN4O3/c1-13(12-20(14-5-6-14)18(27)22-19(28)23-20)17(26)25-9-7-24(8-10-25)16-4-2-3-15(21)11-16/h2-4,11,13-14H,5-10,12H2,1H3,(H2,22,23,27,28)
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University of Illinois at Chicago



Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379780
PNG
(US9926281, Compound 236 | US9926281, Compound 435)
Show SMILES CCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H24Cl2N4O3/c1-3-12(11-19(2)17(27)22-18(28)23-19)16(26)25-6-4-24(5-7-25)15-9-13(20)8-14(21)10-15/h8-10,12H,3-7,11H2,1-2H3,(H2,22,23,27,28)
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379780
PNG
(US9926281, Compound 236 | US9926281, Compound 435)
Show SMILES CCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H24Cl2N4O3/c1-3-12(11-19(2)17(27)22-18(28)23-19)16(26)25-6-4-24(5-7-25)15-9-13(20)8-14(21)10-15/h8-10,12H,3-7,11H2,1-2H3,(H2,22,23,27,28)
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379620
PNG
(US9926281, Compound 121)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H25ClN4O3/c1-13(12-20(14-5-6-14)18(27)22-19(28)23-20)17(26)25-9-7-24(8-10-25)16-4-2-3-15(21)11-16/h2-4,11,13-14H,5-10,12H2,1H3,(H2,22,23,27,28)
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Assay Description
ADAMTS-5:Protocol 1: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379666
PNG
(US9926281, Compound 190)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H27FN4O3/c1-13(11-21(15-6-7-15)19(28)23-20(29)24-21)18(27)25-8-9-26(14(2)12-25)17-5-3-4-16(22)10-17/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H2,23,24,28,29)/t13?,14-,21?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379778
PNG
(US9926281, Compound 235)
Show SMILES CC(CC1(CCNC(=O)OC(C)(C)C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C24H33F2N5O5/c1-15(19(32)31-11-9-30(10-12-31)16-5-6-17(25)18(26)13-16)14-24(20(33)28-21(34)29-24)7-8-27-22(35)36-23(2,3)4/h5-6,13,15H,7-12,14H2,1-4H3,(H,27,35)(H2,28,29,33,34)
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379653
PNG
(US9926281, Compound 176)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cccc(Cl)c1C
Show InChI InChI=1S/C21H27ClN4O3/c1-13(12-21(15-6-7-15)19(28)23-20(29)24-21)18(27)26-10-8-25(9-11-26)17-5-3-4-16(22)14(17)2/h3-5,13,15H,6-12H2,1-2H3,(H2,23,24,28,29)
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379678
PNG
(US9926281, Compound 204)
Show SMILES C[C@H]1CN(CCN1c1cc(Cl)cc(Cl)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379692
PNG
(US9926281, Compound 218)
Show SMILES CC(CC1(CCS(C)(=O)=O)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H26Cl2N4O5S/c1-13(12-20(3-8-32(2,30)31)18(28)23-19(29)24-20)17(27)26-6-4-25(5-7-26)16-10-14(21)9-15(22)11-16/h9-11,13H,3-8,12H2,1-2H3,(H2,23,24,28,29)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379797
PNG
(US9926281, Compound 245 | US9926281, Compound 437)
Show SMILES CC(CC1(NC(=O)NC1=O)c1ccccn1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C23H25ClFN5O3/c1-14(12-23(19-5-3-4-8-26-19)21(32)27-22(33)28-23)20(31)29-9-10-30(15(2)13-29)16-6-7-18(25)17(24)11-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H2,27,28,32,33)/t14?,15-,23?/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379797
PNG
(US9926281, Compound 245 | US9926281, Compound 437)
Show SMILES CC(CC1(NC(=O)NC1=O)c1ccccn1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C23H25ClFN5O3/c1-14(12-23(19-5-3-4-8-26-19)21(32)27-22(33)28-23)20(31)29-9-10-30(15(2)13-29)16-6-7-18(25)17(24)11-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H2,27,28,32,33)/t14?,15-,23?/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379649
PNG
(US9926281, Compound 172 | US9926281, Compound 409)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12(11-20(13-2-3-13)18(28)23-19(29)24-20)17(27)26-6-4-25(5-7-26)16-9-14(21)8-15(22)10-16/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379651
PNG
(US9926281, Compound 174)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cc(F)ccc1C
Show InChI InChI=1S/C21H27FN4O3/c1-13-3-6-16(22)11-17(13)25-7-9-26(10-8-25)18(27)14(2)12-21(15-4-5-15)19(28)23-20(29)24-21/h3,6,11,14-15H,4-5,7-10,12H2,1-2H3,(H2,23,24,28,29)
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379649
PNG
(US9926281, Compound 172 | US9926281, Compound 409)
Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12(11-20(13-2-3-13)18(28)23-19(29)24-20)17(27)26-6-4-25(5-7-26)16-9-14(21)8-15(22)10-16/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379760
PNG
(US9926281, Compound 220 | US9926281, Compound 425)
Show SMILES CC1(CC(CO)C(=O)N2CCN(CC2)c2cc(Cl)cc(Cl)c2)NC(=O)NC1=O
Show InChI InChI=1S/C18H22Cl2N4O4/c1-18(16(27)21-17(28)22-18)9-11(10-25)15(26)24-4-2-23(3-5-24)14-7-12(19)6-13(20)8-14/h6-8,11,25H,2-5,9-10H2,1H3,(H2,21,22,27,28)
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379698
PNG
(US9926281, Compound 265)
Show SMILES C[C@@H](C[C@@]1(C)NC(=O)NC1=O)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C19H24ClFN4O3/c1-11(9-19(3)17(27)22-18(28)23-19)16(26)24-6-7-25(12(2)10-24)13-4-5-15(21)14(20)8-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H2,22,23,27,28)/t11-,12-,19+/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379760
PNG
(US9926281, Compound 220 | US9926281, Compound 425)
Show SMILES CC1(CC(CO)C(=O)N2CCN(CC2)c2cc(Cl)cc(Cl)c2)NC(=O)NC1=O
Show InChI InChI=1S/C18H22Cl2N4O4/c1-18(16(27)21-17(28)22-18)9-11(10-25)15(26)24-4-2-23(3-5-24)14-7-12(19)6-13(20)8-14/h6-8,11,25H,2-5,9-10H2,1H3,(H2,21,22,27,28)
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379872
PNG
(US9926281, Compound 379)
Show SMILES C[C@@H](C[C@]1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cc(F)cc(c1)-c1cn[nH]c1 |r|
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379689
PNG
(US9926281, Compound 215)
Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN([C@@H](C)C1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H25FN4O3/c1-12(10-19(3)17(26)21-18(27)22-19)16(25)23-7-8-24(13(2)11-23)15-6-4-5-14(20)9-15/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H2,21,22,26,27)/t12?,13-,19?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
ADAMTS5


(Rattus norvegicus (Rat))		BDBM379703
PNG
(US9926281, Compound 405 | US9926281, Compound 422)
Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C19H24ClFN4O3/c1-11(9-19(3)17(27)22-18(28)23-19)16(26)24-6-7-25(12(2)10-24)13-4-5-15(21)14(20)8-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H2,22,23,27,28)/t11?,12-,19?/m0/s1
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Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379774
PNG
(US9926281, Compound 279 | US9926281, Compound 448)
Show SMILES COCC1(CC(C)C(=O)N2CCN(CC2)c2cc(F)c(Cl)c(F)c2)NC(=O)NC1=O
Show InChI InChI=1S/C19H23ClF2N4O4/c1-11(9-19(10-30-2)17(28)23-18(29)24-19)16(27)26-5-3-25(4-6-26)12-7-13(21)15(20)14(22)8-12/h7-8,11H,3-6,9-10H2,1-2H3,(H2,23,24,28,29)
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379829
PNG
(US9926281, Compound 263)
Show SMILES CC(CC1(NC(=O)NC1=O)c1ccccn1)C(=O)N1CCN([C@@H](C)C1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H26FN5O3/c1-15(13-23(19-8-3-4-9-25-19)21(31)26-22(32)27-23)20(30)28-10-11-29(16(2)14-28)18-7-5-6-17(24)12-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H2,26,27,31,32)/t15?,16-,23?/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379831
PNG
(US9926281, Compound 264)
Show SMILES CC(CC1(NC(=O)NC1=O)c1ccccn1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C23H25F2N5O3/c1-14(12-23(19-5-3-4-8-26-19)21(32)27-22(33)28-23)20(31)29-9-10-30(15(2)13-29)16-6-7-17(24)18(25)11-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H2,27,28,32,33)/t14?,15-,23?/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM379645
PNG
(US9926281, Compound 167 | US9926281, Compound 408)
Show SMILES C[C@H]1CN(CCN1c1ccc(Cl)c(Cl)c1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20?/m0/s1
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Assay Description
ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...

J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q27S7R3T
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%