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PubMed code 24044434

Compile data set for download or QSAR
Found 71 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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of pervanadate-induced sALCAM release incubated fo...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441228
PNG
(CHEMBL2431029)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H15BrN2O5S/c16-12-3-1-11(2-4-12)10-23-13-5-7-14(8-6-13)24(21,22)17-9-15(19)18-20/h1-8,17,20H,9-10H2,(H,18,19)
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n/an/a 16n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50131516
PNG
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxyac...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C12H14N2O5S/c1-2-3-8-19-10-4-6-11(7-5-10)20(17,18)13-9-12(15)14-16/h4-7,13,16H,8-9H2,1H3,(H,14,15)
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n/an/a 17n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of pervanadate-induced sALCAM release incubated fo...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441223
PNG
(CHEMBL2431016)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C15H15FN2O5S/c16-12-3-1-2-11(8-12)10-23-13-4-6-14(7-5-13)24(21,22)17-9-15(19)18-20/h1-8,17,20H,9-10H2,(H,18,19)
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n/an/a 71n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441221
PNG
(CHEMBL2431018)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20N2O5S/c24-21(23-25)14-22-29(26,27)20-11-9-19(10-12-20)28-15-16-5-4-8-18(13-16)17-6-2-1-3-7-17/h1-13,22,25H,14-15H2,(H,23,24)
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n/an/a 76n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441219
PNG
(CHEMBL2431020)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C15H14F2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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n/an/a 82n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441224
PNG
(CHEMBL2431015)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc(Br)c2)cc1
Show InChI InChI=1S/C15H15BrN2O5S/c16-12-3-1-2-11(8-12)10-23-13-4-6-14(7-5-13)24(21,22)17-9-15(19)18-20/h1-8,17,20H,9-10H2,(H,18,19)
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n/an/a 104n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441215
PNG
(CHEMBL2431021)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C15H14Br2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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n/an/a 105n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441227
PNG
(CHEMBL2431030)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H15FN2O5S/c16-12-3-1-11(2-4-12)10-23-13-5-7-14(8-6-13)24(21,22)17-9-15(19)18-20/h1-8,17,20H,9-10H2,(H,18,19)
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n/an/a 145n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 1 hr measured every 15 secs for...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441218
PNG
(CHEMBL2431022)
Show SMILES CN(CC(=O)NO)S(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C16H16Br2N2O5S/c1-20(9-16(21)19-22)26(23,24)15-4-2-14(3-5-15)25-10-11-6-12(17)8-13(18)7-11/h2-8,22H,9-10H2,1H3,(H,19,21)
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n/an/a 160n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441226
PNG
(CHEMBL2431031)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C16H15F3N2O6S/c17-16(18,19)27-13-3-1-11(2-4-13)10-26-12-5-7-14(8-6-12)28(24,25)20-9-15(22)21-23/h1-8,20,23H,9-10H2,(H,21,22)
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n/an/a 200n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 274n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441222
PNG
(CHEMBL2431017)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc(OC(F)(F)F)c2)cc1
Show InChI InChI=1S/C16H15F3N2O6S/c17-16(18,19)27-13-3-1-2-11(8-13)10-26-12-4-6-14(7-5-12)28(24,25)20-9-15(22)21-23/h1-8,20,23H,9-10H2,(H,21,22)
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n/an/a 280n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 1 hr measured every 15 secs for...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50429818
PNG
(CHEMBL2337691)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O5S/c18-15(17-19)10-16-23(20,21)14-8-6-13(7-9-14)22-11-12-4-2-1-3-5-12/h1-9,16,19H,10-11H2,(H,17,18)
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n/an/a 310n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441217
PNG
(CHEMBL2431024)
Show SMILES COc1ccc(cc1)-c1cc(Br)cc(COc2ccc(cc2)S(=O)(=O)NCC(=O)NO)c1
Show InChI InChI=1S/C22H21BrN2O6S/c1-30-19-4-2-16(3-5-19)17-10-15(11-18(23)12-17)14-31-20-6-8-21(9-7-20)32(28,29)24-13-22(26)25-27/h2-12,24,27H,13-14H2,1H3,(H,25,26)
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n/an/a 320n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 349n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of pervanadate-induced sALCAM release incubated fo...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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n/an/a 419n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441216
PNG
(CHEMBL2431025)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(c2)-c2cccnc2)cc1
Show InChI InChI=1S/C20H18BrN3O5S/c21-17-9-14(8-16(10-17)15-2-1-7-22-11-15)13-29-18-3-5-19(6-4-18)30(27,28)23-12-20(25)24-26/h1-11,23,26H,12-13H2,(H,24,25)
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n/an/a 500n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50429818
PNG
(CHEMBL2337691)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O5S/c18-15(17-19)10-16-23(20,21)14-8-6-13(7-9-14)22-11-12-4-2-1-3-5-12/h1-9,16,19H,10-11H2,(H,17,18)
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n/an/a 590n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441227
PNG
(CHEMBL2431030)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H15FN2O5S/c16-12-3-1-11(2-4-12)10-23-13-5-7-14(8-6-13)24(21,22)17-9-15(19)18-20/h1-8,17,20H,9-10H2,(H,18,19)
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n/an/a 590n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441228
PNG
(CHEMBL2431029)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H15BrN2O5S/c16-12-3-1-11(2-4-12)10-23-13-5-7-14(8-6-13)24(21,22)17-9-15(19)18-20/h1-8,17,20H,9-10H2,(H,18,19)
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n/an/a 630n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441225
PNG
(CHEMBL2431032)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20N2O5S/c24-21(23-25)14-22-29(26,27)20-12-10-19(11-13-20)28-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,22,25H,14-15H2,(H,23,24)
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n/an/a 640n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441220
PNG
(CHEMBL2431019)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1
Show InChI InChI=1S/C18H17N3O5S/c22-17(21-23)11-20-27(24,25)16-8-6-15(7-9-16)26-12-14-4-1-3-13-5-2-10-19-18(13)14/h1-10,20,23H,11-12H2,(H,21,22)
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n/an/a 650n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 651n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 825n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441215
PNG
(CHEMBL2431021)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C15H14Br2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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n/an/a 840n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 845n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441219
PNG
(CHEMBL2431020)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C15H14F2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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n/an/a 890n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441223
PNG
(CHEMBL2431016)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C15H15FN2O5S/c16-12-3-1-2-11(8-12)10-23-13-4-6-14(7-5-13)24(21,22)17-9-15(19)18-20/h1-8,17,20H,9-10H2,(H,18,19)
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n/an/a 940n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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n/an/a 966n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of EGF-induced sALCAM release incubated for 30 min...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441224
PNG
(CHEMBL2431015)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc(Br)c2)cc1
Show InChI InChI=1S/C15H15BrN2O5S/c16-12-3-1-2-11(8-12)10-23-13-4-6-14(7-5-13)24(21,22)17-9-15(19)18-20/h1-8,17,20H,9-10H2,(H,18,19)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441221
PNG
(CHEMBL2431018)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20N2O5S/c24-21(23-25)14-22-29(26,27)20-11-9-19(10-12-20)28-15-16-5-4-8-18(13-16)17-6-2-1-3-7-17/h1-13,22,25H,14-15H2,(H,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of pervanadate-induced sALCAM release incubated fo...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441222
PNG
(CHEMBL2431017)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc(OC(F)(F)F)c2)cc1
Show InChI InChI=1S/C16H15F3N2O6S/c17-16(18,19)27-13-3-1-2-11(8-13)10-26-12-4-6-14(7-5-12)28(24,25)20-9-15(22)21-23/h1-8,20,23H,9-10H2,(H,21,22)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50131516
PNG
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxyac...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C12H14N2O5S/c1-2-3-8-19-10-4-6-11(7-5-10)20(17,18)13-9-12(15)14-16/h4-7,13,16H,8-9H2,1H3,(H,14,15)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 4.27E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of EGF-induced sALCAM release incubated for 30 min...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441215
PNG
(CHEMBL2431021)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C15H14Br2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of pervanadate-induced sALCAM release incubated fo...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 5.64E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of EGF-induced sALCAM release incubated for 30 min...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441226
PNG
(CHEMBL2431031)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C16H15F3N2O6S/c17-16(18,19)27-13-3-1-11(2-4-13)10-26-12-5-7-14(8-6-12)28(24,25)20-9-15(22)21-23/h1-8,20,23H,9-10H2,(H,21,22)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 7.63E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 1 hr measured every 15 secs for...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 9.52E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of EGF-induced sALCAM release incubated for 30 min...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441215
PNG
(CHEMBL2431021)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C15H14Br2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441215
PNG
(CHEMBL2431021)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C15H14Br2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of EGF-induced sALCAM release incubated for 30 min...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441215
PNG
(CHEMBL2431021)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C15H14Br2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441215
PNG
(CHEMBL2431021)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C15H14Br2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 1.95E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441216
PNG
(CHEMBL2431025)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(c2)-c2cccnc2)cc1
Show InChI InChI=1S/C20H18BrN3O5S/c21-17-9-14(8-16(10-17)15-2-1-7-22-11-15)13-29-18-3-5-19(6-4-18)30(27,28)23-12-20(25)24-26/h1-11,23,26H,12-13H2,(H,24,25)
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n/an/a 2.14E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50441215
PNG
(CHEMBL2431021)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C15H14Br2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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n/an/a 3.90E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 1 hr measured every 15 secs for...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50441229
PNG
(CHEMBL2431023)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C15H13Br2NO5S/c16-11-5-10(6-12(17)7-11)9-23-13-1-3-14(4-2-13)24(21,22)18-8-15(19)20/h1-7,18H,8-9H2,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 6.80E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441225
PNG
(CHEMBL2431032)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20N2O5S/c24-21(23-25)14-22-29(26,27)20-12-10-19(11-13-20)28-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,22,25H,14-15H2,(H,23,24)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441214
PNG
(CHEMBL2431026)
Show SMILES ONC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C25H25Br2N3O7S/c26-19-12-18(13-20(27)14-19)16-36-21-6-8-22(9-7-21)38(34,35)30-23(24(31)29-33)10-11-28-25(32)37-15-17-4-2-1-3-5-17/h1-9,12-14,23,30,33H,10-11,15-16H2,(H,28,32)(H,29,31)/t23-/m1/s1
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n/an/a 1.04E+5n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441215
PNG
(CHEMBL2431021)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C15H14Br2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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n/an/a 1.13E+5n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441220
PNG
(CHEMBL2431019)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1
Show InChI InChI=1S/C18H17N3O5S/c22-17(21-23)11-20-27(24,25)16-8-6-15(7-9-16)26-12-14-4-1-3-13-5-2-10-19-18(13)14/h1-10,20,23H,11-12H2,(H,21,22)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441218
PNG
(CHEMBL2431022)
Show SMILES CN(CC(=O)NO)S(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
Show InChI InChI=1S/C16H16Br2N2O5S/c1-20(9-16(21)19-22)26(23,24)15-4-2-14(3-5-15)25-10-11-6-12(17)8-13(18)7-11/h2-8,22H,9-10H2,1H3,(H,19,21)
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n/an/a 1.23E+5n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50441217
PNG
(CHEMBL2431024)
Show SMILES COc1ccc(cc1)-c1cc(Br)cc(COc2ccc(cc2)S(=O)(=O)NCC(=O)NO)c1
Show InChI InChI=1S/C22H21BrN2O6S/c1-30-19-4-2-16(3-5-19)17-10-15(11-18(23)12-17)14-31-20-6-8-21(9-7-20)32(28,29)24-13-22(26)25-27/h2-12,24,27H,13-14H2,1H3,(H,25,26)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...

J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%